2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-5-(2-methyl-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl)benzimidazol-1-ium-1-yl]amino]-2-methylsulfonyl-ethanoic acid hydrochloride

Systemtic Name: 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-5-(2-methyl-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl)benzimidazol-1-ium-1-yl]amino]-2-methylsulfonyl-ethanoic acid hydrochloride Openeye Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-5-[1,1-dimethyl-2-oxo-2-(1-piperidyl)ethyl]-1-methyl-benzimidazol-1-ium-1-yl]amino]-2-methylsulfonyl-acetic acid hydrochloride CAS Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-[2-methyl-1-oxo-1-(1-piperidinyl)propan-2-yl]-1-benzimidazol-1-iumyl]amino]-2-methylsulfonylacetic acid hydrochloride IUPAC Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-(2-methyl-1-oxo-1-piperidin-1-ylpropan-2-yl)benzimidazol-1-ium-1-yl]amino]-2-methylsulfonylacetic acid hydrochloride Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-5-(2-keto-1,1-dimethyl-2-piperidino-ethyl)-1-methyl-benzimidazol-1-ium-1-yl]amino]-2-mesyl-acetic acid hydrochloride Formula: C28H39ClN7O5S+ MolecularWeight: 621.17116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=C(C=C1)[N+](C(=N2)CNC3=CC=C(C=C3)C(=N)N)(C)NC(C(=O)O)S(=O)(=O)C)C(=O)N4CCCCC4.Cl

Isomeric SMILES

CC(C)(C1=CC2=C(C=C1)[N+](C(=N2)CNC3=CC=C(C=C3)C(=N)N)(C)NC(C(=O)O)S(=O)(=O)C)C(=O)N4CCCCC4.Cl

InChI

InChI=1S/C28H37N7O5S.ClH/c1-28(2,27(38)34-14-6-5-7-15-34)19-10-13-22-21(16-19)32-23(17-31-20-11-8-18(9-12-20)24(29)30)35(22,3)33-25(26(36)37)41(4,39)40;/h8-13,16,25,33H,5-7,14-15,17H2,1-4H3,(H4-,29,30,31,36,37);1H/p+1