3-[1-(cyclooctylmethyl)-3,3-bis(hydroxymethyl)piperidin-4-yl]-1H-benzimidazol-2-one hydrochloride

Systemtic Name: 3-[1-(cyclooctylmethyl)-3,3-bis(hydroxymethyl)piperidin-4-yl]-1H-benzimidazol-2-one hydrochloride Openeye Name: 3-[1-(cyclooctylmethyl)-3,3-bis(hydroxymethyl)-4-piperidyl]-1H-benzimidazol-2-one hydrochloride CAS Name: 3-[1-(cyclooctylmethyl)-3,3-bis(hydroxymethyl)-4-piperidinyl]-1H-benzimidazol-2-one hydrochloride IUPAC Name: 3-[1-(cyclooctylmethyl)-3,3-bis(hydroxymethyl)piperidin-4-yl]-1H-benzimidazol-2-one hydrochloride Traditional Name: 3-[1-(cyclooctylmethyl)-3,3-dimethylol-4-piperidyl]-1H-benzimidazol-2-one hydrochloride Formula: C23H36ClN3O3 MolecularWeight: 438.00324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)CN2CCC(C(C2)(CO)CO)N3C4=CC=CC=C4NC3=O.Cl

Isomeric SMILES

C1CCCC(CCC1)CN2CCC(C(C2)(CO)CO)N3C4=CC=CC=C4NC3=O.Cl

InChI

InChI=1S/C23H35N3O3.ClH/c27-16-23(17-28)15-25(14-18-8-4-2-1-3-5-9-18)13-12-21(23)26-20-11-7-6-10-19(20)24-22(26)29;/h6-7,10-11,18,21,27-28H,1-5,8-9,12-17H2,(H,24,29);1H