methyl 3-[[2-(4-carbamimidoylphenyl)-1-decyl-benzimidazol-1-ium-1-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-decyl-benzimidazol-1-ium-1-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-decyl-benzimidazol-1-ium-1-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-decyl-1-benzimidazol-1-iumyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-decylbenzimidazol-1-ium-1-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-decyl-benzimidazol-1-ium-1-carbonyl]amino]propionic acid methyl ester Formula: C29H40N5O3+ MolecularWeight: 506.6596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1(C2=CC=CC=C2N=C1C3=CC=C(C=C3)C(=N)N)C(=O)NCCC(=O)OC

Isomeric SMILES

CCCCCCCCCC[N+]1(C2=CC=CC=C2N=C1C3=CC=C(C=C3)C(=N)N)C(=O)NCCC(=O)OC

InChI

InChI=1S/C29H39N5O3/c1-3-4-5-6-7-8-9-12-21-34(29(36)32-20-19-26(35)37-2)25-14-11-10-13-24(25)33-28(34)23-17-15-22(16-18-23)27(30)31/h10-11,13-18H,3-9,12,19-21H2,1-2H3,(H3-,30,31,32,36)/p+1