2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-4-methoxy-phenyl)ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-4-methoxy-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-methoxy-phenyl)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-methoxyphenyl)acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-methoxyphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-(3-ethyl-4-methoxy-phenyl)acetate hydrochloride Formula: C18H21ClN3O3- MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OC.Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OC.Cl

InChI

InChI=1S/C18H21N3O3.ClH/c1-3-11-10-13(6-9-15(11)24-2)16(18(22)23)21-14-7-4-12(5-8-14)17(19)20;/h4-10,16,21H,3H2,1-2H3,(H3,19,20)(H,22,23);1H/p-1