N-[2-[2-oxidanylidene-3-(1-phenylcycloheptyl)-1-piperidin-4-yl-benzimidazol-1-ium-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-[2-[2-oxidanylidene-3-(1-phenylcycloheptyl)-1-piperidin-4-yl-benzimidazol-1-ium-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-[2-oxo-3-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-1-yl]ethyl]methanesulfonamide CAS Name: N-[2-[2-oxo-3-(1-phenylcycloheptyl)-1-(4-piperidinyl)-1-benzimidazol-1-iumyl]ethyl]methanesulfonamide IUPAC Name: N-[2-[2-oxo-3-(1-phenylcycloheptyl)-1-piperidin-4-ylbenzimidazol-1-ium-1-yl]ethyl]methanesulfonamide Traditional Name: N-[2-[2-keto-3-(1-phenylcycloheptyl)-1-(4-piperidyl)benzimidazol-1-ium-1-yl]ethyl]methanesulfonamide Formula: C28H39N4O3S+ MolecularWeight: 511.69926

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC[N+]1(C2=CC=CC=C2N(C1=O)C3(CCCCCC3)C4=CC=CC=C4)C5CCNCC5

Isomeric SMILES

CS(=O)(=O)NCC[N+]1(C2=CC=CC=C2N(C1=O)C3(CCCCCC3)C4=CC=CC=C4)C5CCNCC5

InChI

InChI=1S/C28H39N4O3S/c1-36(34,35)30-21-22-32(24-15-19-29-20-16-24)26-14-8-7-13-25(26)31(27(32)33)28(17-9-2-3-10-18-28)23-11-5-4-6-12-23/h4-8,11-14,24,29-30H,2-3,9-10,15-22H2,1H3/q+1