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

Systemtic Name: ethyl 2-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-5-[1-[ethyl(methyl)amino]-1-oxidanylidene-propan-2-yl]-1-methyl-benzimidazol-1-ium-1-yl]amino]ethanoate Openeye Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-5-[2-[ethyl(methyl)amino]-1-methyl-2-oxo-ethyl]-1-methyl-benzimidazol-1-ium-1-yl]amino]acetate CAS Name: 2-[[2-[(4-carbamimidoylanilino)methyl]-5-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1-methyl-1-benzimidazol-1-iumyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylanilino)methyl]-5-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1-methylbenzimidazol-1-ium-1-yl]amino]acetate Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-5-[2-[ethyl(methyl)amino]-2-keto-1-methyl-ethyl]-1-methyl-benzimidazol-1-ium-1-yl]amino]acetic acid ethyl ester Formula: C26H36N7O3+ MolecularWeight: 494.60914

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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)NCC(=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)NCC(=O)OCC

InChI

InChI=1S/C26H36N7O3/c1-6-32(4)26(35)17(3)19-10-13-22-21(14-19)31-23(33(22,5)30-16-24(34)36-7-2)15-29-20-11-8-18(9-12-20)25(27)28/h8-14,17,29-30H,6-7,15-16H2,1-5H3,(H3,27,28)/q+1