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

Systemtic Name: 3-(cyclooctylmethyl)-1-ethyl-1-(hydroxymethyl)-7-piperidin-4-yl-benzimidazol-1-ium-2-one hydrochloride Openeye Name: 3-(cyclooctylmethyl)-1-ethyl-1-(hydroxymethyl)-7-(4-piperidyl)benzimidazol-1-ium-2-one hydrochloride CAS Name: 3-(cyclooctylmethyl)-1-ethyl-1-(hydroxymethyl)-7-(4-piperidinyl)-2-benzimidazol-1-iumone hydrochloride IUPAC Name: 3-(cyclooctylmethyl)-1-ethyl-1-(hydroxymethyl)-7-piperidin-4-ylbenzimidazol-1-ium-2-one hydrochloride Traditional Name: 3-(cyclooctylmethyl)-1-ethyl-1-methylol-7-(4-piperidyl)benzimidazol-1-ium-2-one hydrochloride Formula: C24H39ClN3O2+ MolecularWeight: 437.03836

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=C(C=CC=C2N(C1=O)CC3CCCCCCC3)C4CCNCC4)CO.Cl

Isomeric SMILES

CC[N+]1(C2=C(C=CC=C2N(C1=O)CC3CCCCCCC3)C4CCNCC4)CO.Cl

InChI

InChI=1S/C24H38N3O2.ClH/c1-2-27(18-28)23-21(20-13-15-25-16-14-20)11-8-12-22(23)26(24(27)29)17-19-9-6-4-3-5-7-10-19;/h8,11-12,19-20,25,28H,2-7,9-10,13-18H2,1H3;1H/q+1;