2-[(4-carbamimidoylphenyl)amino]-2-[3-(diethylamino)-4-ethoxy-phenyl]ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-(diethylamino)-4-ethoxy-phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-(diethylamino)-4-ethoxy-phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-(diethylamino)-4-ethoxyphenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-(diethylamino)-4-ethoxyphenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-(diethylamino)-4-ethoxy-phenyl]acetate hydrochloride Formula: C21H28ClN4O3- MolecularWeight: 419.92502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCC.Cl

Isomeric SMILES

CCN(CC)C1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCC.Cl

InChI

InChI=1S/C21H28N4O3.ClH/c1-4-25(5-2)17-13-15(9-12-18(17)28-6-3)19(21(26)27)24-16-10-7-14(8-11-16)20(22)23;/h7-13,19,24H,4-6H2,1-3H3,(H3,22,23)(H,26,27);1H/p-1