2-(benzimidazol-1-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanesulfonamide

Systemtic Name: 2-(benzimidazol-1-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanesulfonamide Openeye Name: 2-(benzimidazol-1-yl)-N-(1-benzylpiperidin-1-ium-4-yl)ethanesulfonamide CAS Name: 2-(1-benzimidazolyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]ethanesulfonamide IUPAC Name: 2-(benzimidazol-1-yl)-N-(1-benzylpiperidin-1-ium-4-yl)ethanesulfonamide Traditional Name: 2-(benzimidazol-1-yl)-N-(1-benzylpiperidin-1-ium-4-yl)ethanesulfonamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NS(=O)(=O)CCN2C=NC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NS(=O)(=O)CCN2C=NC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N4O2S/c26-28(27,15-14-25-17-22-20-8-4-5-9-21(20)25)23-19-10-12-24(13-11-19)16-18-6-2-1-3-7-18/h1-9,17,19,23H,10-16H2/p+1