ethyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-5-(2-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)benzimidazol-1-ium-1-yl]sulfamoyl]ethanoate hydrochloride

Systemtic Name: ethyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-5-(2-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)benzimidazol-1-ium-1-yl]sulfamoyl]ethanoate hydrochloride Openeye Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-5-(1,1-dimethyl-2-oxo-2-pyrrolidin-1-yl-ethyl)-1-methyl-benzimidazol-1-ium-1-yl]sulfamoyl]acetate hydrochloride CAS Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-[2-methyl-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-1-benzimidazol-1-iumyl]sulfamoyl]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-1-ium-1-yl]sulfamoyl]acetate hydrochloride Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-5-(2-keto-1,1-dimethyl-2-pyrrolidino-ethyl)-1-methyl-benzimidazol-1-ium-1-yl]sulfamoyl]acetic acid ethyl ester hydrochloride Formula: C28H39ClN7O5S+ MolecularWeight: 621.17116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)N[N+]1(C2=C(C=C(C=C2)C(C)(C)C(=O)N3CCCC3)N=C1CNC4=CC=C(C=C4)C(=N)N)C.Cl

Isomeric SMILES

CCOC(=O)CS(=O)(=O)N[N+]1(C2=C(C=C(C=C2)C(C)(C)C(=O)N3CCCC3)N=C1CNC4=CC=C(C=C4)C(=N)N)C.Cl

InChI

InChI=1S/C28H38N7O5S.ClH/c1-5-40-25(36)18-41(38,39)33-35(4)23-13-10-20(28(2,3)27(37)34-14-6-7-15-34)16-22(23)32-24(35)17-31-21-11-8-19(9-12-21)26(29)30;/h8-13,16,31,33H,5-7,14-15,17-18H2,1-4H3,(H3,29,30);1H/q+1;