[2-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate hydrochloride

Systemtic Name: [2-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate hydrochloride Openeye Name: [2-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenyl] 3-(1-carbamimidoyl-4-piperidyl)propanoate hydrochloride CAS Name: 3-(1-carbamimidoyl-4-piperidinyl)propanoic acid [2-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] ester hydrochloride IUPAC Name: [2-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] 3-(1-carbamimidoylpiperidin-4-yl)propanoate hydrochloride Traditional Name: 3-(1-amidino-4-piperidyl)propionic acid [2-[(E)-3-keto-3-phenyl-prop-1-enyl]phenyl] ester hydrochloride Formula: C24H28ClN3O3 MolecularWeight: 441.95042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)OC2=CC=CC=C2C=CC(=O)C3=CC=CC=C3)C(=N)N.Cl

Isomeric SMILES

C1CN(CCC1CCC(=O)OC2=CC=CC=C2/C=C/C(=O)C3=CC=CC=C3)C(=N)N.Cl

InChI

InChI=1S/C24H27N3O3.ClH/c25-24(26)27-16-14-18(15-17-27)10-13-23(29)30-22-9-5-4-8-20(22)11-12-21(28)19-6-2-1-3-7-19;/h1-9,11-12,18H,10,13-17H2,(H3,25,26);1H/b12-11+;