Compound Name

SMILES String

CC(=O)C1=CCC(CCc2ccccc2)CC1 |t:3|

CC(CO)[N+](C)(C)C

CC(O)C[N+](C)(C)C

CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C

CCCCCCCCN1CCCC(C1)C1CCCN1C

CCCCCCCCN1CCCCC1

CCCCCCCC[N+](C)(C)CCO

CCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C |r|

CCCCCCCC[n+]1ccccc1

CCCCCC[N+](C)(C)CCO

CCCC[N+](C)(C)CCO

CCCC[n+]1ccccc1

CCC[N+](C)(C)CCO

CCN1CCC(=CC1)C(C)=O |c:5|

CC[N+](C)(C)C

CC[N+](C)(C)CCO

CC[N+](CC)(CC)CCO

CN(C)C1CCCCC1O

CN(C)CCO

CN1CCCC1C1CCCN(C)C1

CNCCO

CSCCO

C[N+](C)(C)C1CCCCC1O

C[N+](C)(C)CC(O)c1ccc(O)c(O)c1

C[N+](C)(C)CCCCO

C[N+](C)(C)CCCO

C[N+](C)(C)CCO

C[N+](C)(C)[C@@H]1CCCC[C@@H]1O

C[N+](C)(C)[C@@H]1CCCC[C@H]1O

C[N+](C)(C)c1cccc(O)c1O

C[N+](C)(CCO)c1ccc(F)cc1

C[N+](C)(CCO)c1ccccc1

C[N+]1(C)CCOC(O)(C1)c1ccccc1

C[S+](C)CCO

C[n+]1ccccc1

NCCO

OC1CN2CCC1CC2 |THB:0:1:7.8:5.4,(6.92,.2,;7.84,-.7,;6.97,-1.64,;7.02,-3.14,;8.8,-4.11,;9.62,-2.84,;7.9,-1.89,;6.04,-2.81,;5.27,-4.16,)|

OCCCN1CCN(Cc2cccnc2)CC1