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

Systemtic Name: 1-ethyl-N,N-dimethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-N,N-dimethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazole-5-sulfonamide CAS Name: 1-ethyl-N,N-dimethyl-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-N,N-dimethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-ethyl-N,N-dimethyl-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzimidazole-5-sulfonamide Formula: C22H30N5O2S+ MolecularWeight: 428.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2S/c1-4-27-21-11-10-19(30(28,29)24(2)3)16-20(21)23-22(27)17-25-12-14-26(15-13-25)18-8-6-5-7-9-18/h5-11,16H,4,12-15,17H2,1-3H3/p+1