1-ethyl-N,N-dimethyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-N,N-dimethyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-N,N-dimethyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide CAS Name: 1-ethyl-N,N-dimethyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-N,N-dimethyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-ethyl-N,N-dimethyl-2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]benzimidazole-5-sulfonamide Formula: C21H29N6O2S+ MolecularWeight: 429.55896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H28N6O2S/c1-4-27-19-9-8-17(30(28,29)24(2)3)15-18(19)23-21(27)16-25-11-13-26(14-12-25)20-7-5-6-10-22-20/h5-10,15H,4,11-14,16H2,1-3H3/p+1