2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-5-piperidin-4-yloxy-phenyl)ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-5-piperidin-4-yloxy-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-(4-piperidyloxy)phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-ethyl-5-(4-piperidinyloxy)phenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-5-piperidin-4-yloxyphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-ethyl-5-(4-piperidyloxy)phenyl]acetate hydrochloride Formula: C22H28ClN4O3- MolecularWeight: 431.93572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OC2CCNCC2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CCC1=CC(=CC(=C1)OC2CCNCC2)C(C(=O)[O-])NC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C22H28N4O3.ClH/c1-2-14-11-16(13-19(12-14)29-18-7-9-25-10-8-18)20(22(27)28)26-17-5-3-15(4-6-17)21(23)24;/h3-6,11-13,18,20,25-26H,2,7-10H2,1H3,(H3,23,24)(H,27,28);1H/p-1