methyl 2-[4-[(4-carbamimidoyl-1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(4-carbamimidoyl-1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(4-carbamimidoyl-1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(4-carbamimidoyl-1-methyl-2-propyl-1-benzimidazol-1-iumyl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-carbamimidoyl-1-methyl-2-propylbenzimidazol-1-ium-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(4-amidino-1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C(=N)N

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C(=N)N

InChI

InChI=1S/C27H29N4O2/c1-4-8-24-30-25-22(26(28)29)11-7-12-23(25)31(24,2)17-18-13-15-19(16-14-18)20-9-5-6-10-21(20)27(32)33-3/h5-7,9-16H,4,8,17H2,1-3H3,(H3,28,29)/q+1