2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-5-piperazin-1-yl-phenyl)ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-5-piperazin-1-yl-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-5-piperazin-1-yl-phenyl)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-(1-piperazinyl)phenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-5-piperazin-1-ylphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-(3-ethyl-5-piperazino-phenyl)acetate hydrochloride Formula: C21H27ClN5O2- MolecularWeight: 416.92438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)N2CCNCC2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1)N2CCNCC2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H27N5O2.ClH/c1-2-14-11-16(13-18(12-14)26-9-7-24-8-10-26)19(21(27)28)25-17-5-3-15(4-6-17)20(22)23;/h3-6,11-13,19,24-25H,2,7-10H2,1H3,(H3,22,23)(H,27,28);1H/p-1