3-(cyclooctylmethyl)-1,1-bis(hydroxymethyl)-7-piperidin-4-yl-benzimidazol-1-ium-2-one

Systemtic Name: 3-(cyclooctylmethyl)-1,1-bis(hydroxymethyl)-7-piperidin-4-yl-benzimidazol-1-ium-2-one Openeye Name: 3-(cyclooctylmethyl)-1,1-bis(hydroxymethyl)-7-(4-piperidyl)benzimidazol-1-ium-2-one CAS Name: 3-(cyclooctylmethyl)-1,1-bis(hydroxymethyl)-7-(4-piperidinyl)-2-benzimidazol-1-iumone IUPAC Name: 3-(cyclooctylmethyl)-1,1-bis(hydroxymethyl)-7-piperidin-4-ylbenzimidazol-1-ium-2-one Traditional Name: 3-(cyclooctylmethyl)-1,1-dimethylol-7-(4-piperidyl)benzimidazol-1-ium-2-one Formula: C23H36N3O3+ MolecularWeight: 402.55024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)CN2C3=CC=CC(=C3[N+](C2=O)(CO)CO)C4CCNCC4

Isomeric SMILES

C1CCCC(CCC1)CN2C3=CC=CC(=C3[N+](C2=O)(CO)CO)C4CCNCC4

InChI

InChI=1S/C23H36N3O3/c27-16-26(17-28)22-20(19-11-13-24-14-12-19)9-6-10-21(22)25(23(26)29)15-18-7-4-2-1-3-5-8-18/h6,9-10,18-19,24,27-28H,1-5,7-8,11-17H2/q+1