N,N-dimethyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-3H-benzimidazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-3H-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-3H-benzimidazole-5-sulfonamide IUPAC Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide Traditional Name: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O2S/c1-25(2)29(27,28)19-8-9-20-21(15-19)24-22(23-20)16-26-12-10-18(11-13-26)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3,(H,23,24)/p+1