methyl 1-[(3-carbamimidoylphenyl)methyl]-2-[(1-methylpyridin-1-ium-4-yl)methylcarbamoyl]indole-3-carboxylate

Systemtic Name: methyl 1-[(3-carbamimidoylphenyl)methyl]-2-[(1-methylpyridin-1-ium-4-yl)methylcarbamoyl]indole-3-carboxylate Openeye Name: methyl 1-[(3-carbamimidoylphenyl)methyl]-2-[(1-methylpyridin-1-ium-4-yl)methylcarbamoyl]indole-3-carboxylate CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-2-[[(1-methyl-4-pyridin-1-iumyl)methylamino]-oxomethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-carbamimidoylphenyl)methyl]-2-[(1-methylpyridin-1-ium-4-yl)methylcarbamoyl]indole-3-carboxylate Traditional Name: 1-(3-amidinobenzyl)-2-[(1-methylpyridin-1-ium-4-yl)methylcarbamoyl]indole-3-carboxylic acid methyl ester Formula: C26H26N5O3+ MolecularWeight: 456.51634

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3N2CC4=CC=CC(=C4)C(=N)N)C(=O)OC

Isomeric SMILES

C[N+]1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3N2CC4=CC=CC(=C4)C(=N)N)C(=O)OC

InChI

InChI=1S/C26H25N5O3/c1-30-12-10-17(11-13-30)15-29-25(32)23-22(26(33)34-2)20-8-3-4-9-21(20)31(23)16-18-6-5-7-19(14-18)24(27)28/h3-14H,15-16H2,1-2H3,(H3-,27,28,29,32)/p+1