methyl 2-[8-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[8-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[8-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate CAS Name: 2-[8-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-5-benzimidazolyl]sulfamoyl]-1-quinolin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[8-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methylbenzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate Traditional Name: 2-[8-[[2-[(4-amidinophenoxy)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid methyl ester Formula: C28H27N6O5S+ MolecularWeight: 559.61618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3[N+](=CC=C4)CC(=O)OC)N=C1COC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3[N+](=CC=C4)CC(=O)OC)N=C1COC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H27N6O5S/c1-33-23-13-10-20(15-22(23)31-25(33)17-39-21-11-8-19(9-12-21)28(29)30)32-40(36,37)24-7-3-5-18-6-4-14-34(27(18)24)16-26(35)38-2/h3-15,32H,16-17H2,1-2H3,(H3,29,30)/q+1