2-[(4-carbamimidoylphenyl)amino]-2-(4,5-dimethoxy-2-methyl-phenyl)ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(4,5-dimethoxy-2-methyl-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-(4,5-dimethoxy-2-methyl-phenyl)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-(4,5-dimethoxy-2-methylphenyl)acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(4,5-dimethoxy-2-methylphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-(4,5-dimethoxy-2-methyl-phenyl)acetate hydrochloride Formula: C18H21ClN3O4- MolecularWeight: 378.83004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OC)OC.Cl

Isomeric SMILES

CC1=CC(=C(C=C1C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OC)OC.Cl

InChI

InChI=1S/C18H21N3O4.ClH/c1-10-8-14(24-2)15(25-3)9-13(10)16(18(22)23)21-12-6-4-11(5-7-12)17(19)20;/h4-9,16,21H,1-3H3,(H3,19,20)(H,22,23);1H/p-1