ethyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-5-[1-[ethyl(methyl)amino]-1-oxidanylidene-propan-2-yl]-1-methyl-benzimidazol-1-ium-1-yl]amino]propanoate

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-5-[1-[ethyl(methyl)amino]-1-oxidanylidene-propan-2-yl]-1-methyl-benzimidazol-1-ium-1-yl]amino]propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-5-[2-[ethyl(methyl)amino]-1-methyl-2-oxo-ethyl]-1-methyl-benzimidazol-1-ium-1-yl]amino]propanoate CAS Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-5-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1-methyl-1-benzimidazol-1-iumyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-5-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1-methylbenzimidazol-1-ium-1-yl]amino]propanoate Traditional Name: 3-[[2-[(4-amidinoanilino)methyl]-5-[2-[ethyl(methyl)amino]-2-keto-1-methyl-ethyl]-1-methyl-benzimidazol-1-ium-1-yl]amino]propionic acid ethyl ester Formula: C27H38N7O3+ MolecularWeight: 508.63572

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)C(C)C1=CC2=C(C=C1)[N+](C(=N2)CNC3=CC=C(C=C3)C(=N)N)(C)NCCC(=O)OCC

Isomeric SMILES

CCN(C)C(=O)C(C)C1=CC2=C(C=C1)[N+](C(=N2)CNC3=CC=C(C=C3)C(=N)N)(C)NCCC(=O)OCC

InChI

InChI=1S/C27H38N7O3/c1-6-33(4)27(36)18(3)20-10-13-23-22(16-20)32-24(34(23,5)31-15-14-25(35)37-7-2)17-30-21-11-8-19(9-12-21)26(28)29/h8-13,16,18,30-31H,6-7,14-15,17H2,1-5H3,(H3,28,29)/q+1