3-(cyclooctylmethyl)-7-ethyl-1,1-bis(hydroxymethyl)-6-piperidin-4-yl-benzimidazol-1-ium-2-one

Systemtic Name: 3-(cyclooctylmethyl)-7-ethyl-1,1-bis(hydroxymethyl)-6-piperidin-4-yl-benzimidazol-1-ium-2-one Openeye Name: 3-(cyclooctylmethyl)-7-ethyl-1,1-bis(hydroxymethyl)-6-(4-piperidyl)benzimidazol-1-ium-2-one CAS Name: 3-(cyclooctylmethyl)-7-ethyl-1,1-bis(hydroxymethyl)-6-(4-piperidinyl)-2-benzimidazol-1-iumone IUPAC Name: 3-(cyclooctylmethyl)-7-ethyl-1,1-bis(hydroxymethyl)-6-piperidin-4-ylbenzimidazol-1-ium-2-one Traditional Name: 3-(cyclooctylmethyl)-7-ethyl-1,1-dimethylol-6-(4-piperidyl)benzimidazol-1-ium-2-one Formula: C25H40N3O3+ MolecularWeight: 430.6034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1[N+](C(=O)N2CC3CCCCCCC3)(CO)CO)C4CCNCC4

Isomeric SMILES

CCC1=C(C=CC2=C1[N+](C(=O)N2CC3CCCCCCC3)(CO)CO)C4CCNCC4

InChI

InChI=1S/C25H40N3O3/c1-2-21-22(20-12-14-26-15-13-20)10-11-23-24(21)28(17-29,18-30)25(31)27(23)16-19-8-6-4-3-5-7-9-19/h10-11,19-20,26,29-30H,2-9,12-18H2,1H3/q+1