methyl 1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylate hydrochloride

Systemtic Name: methyl 1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylate hydrochloride Openeye Name: methyl 1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylate hydrochloride CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-2-indolecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 1-[(3-carbamimidoylphenyl)methyl]indole-2-carboxylate hydrochloride Traditional Name: 1-(3-amidinobenzyl)indole-2-carboxylic acid methyl ester hydrochloride Formula: C18H18ClN3O2 MolecularWeight: 343.80742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2N1CC3=CC=CC(=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2N1CC3=CC=CC(=C3)C(=N)N.Cl

InChI

InChI=1S/C18H17N3O2.ClH/c1-23-18(22)16-10-13-6-2-3-8-15(13)21(16)11-12-5-4-7-14(9-12)17(19)20;/h2-10H,11H2,1H3,(H3,19,20);1H