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

Systemtic Name: ethyl 4-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-5-(1-ethoxy-1-oxidanylidene-propan-2-yl)-1-methyl-benzimidazol-1-ium-1-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[2-[(4-carbamimidoylanilino)methyl]-5-(2-ethoxy-1-methyl-2-oxo-ethyl)-1-methyl-benzimidazol-1-ium-1-yl]amino]-4-oxo-butanoate CAS Name: 4-[[2-[(4-carbamimidoylanilino)methyl]-5-(1-ethoxy-1-oxopropan-2-yl)-1-methyl-1-benzimidazol-1-iumyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-carbamimidoylanilino)methyl]-5-(1-ethoxy-1-oxopropan-2-yl)-1-methylbenzimidazol-1-ium-1-yl]amino]-4-oxobutanoate Traditional Name: 4-[[2-[(4-amidinoanilino)methyl]-5-(2-ethoxy-2-keto-1-methyl-ethyl)-1-methyl-benzimidazol-1-ium-1-yl]amino]-4-keto-butyric acid ethyl ester Formula: C27H35N6O5+ MolecularWeight: 523.604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N[N+]1(C2=C(C=C(C=C2)C(C)C(=O)OCC)N=C1CNC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCC(=O)N[N+]1(C2=C(C=C(C=C2)C(C)C(=O)OCC)N=C1CNC3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C27H34N6O5/c1-5-37-25(35)14-13-24(34)32-33(4)22-12-9-19(17(3)27(36)38-6-2)15-21(22)31-23(33)16-30-20-10-7-18(8-11-20)26(28)29/h7-12,15,17H,5-6,13-14,16H2,1-4H3,(H4-,28,29,30,32,34)/p+1