3-oxidanylidene-2-[piperidin-4-yl-(4-pyridin-4-ylpiperazin-1-yl)methyl]prop-2-enoic acid hydrochloride

Systemtic Name: 3-oxidanylidene-2-[piperidin-4-yl-(4-pyridin-4-ylpiperazin-1-yl)methyl]prop-2-enoic acid hydrochloride Openeye Name: 3-oxo-2-[4-piperidyl-[4-(4-pyridyl)piperazin-1-yl]methyl]prop-2-enoic acid hydrochloride CAS Name: 3-oxo-2-[4-piperidinyl-(4-pyridin-4-yl-1-piperazinyl)methyl]-2-propenoic acid hydrochloride IUPAC Name: 3-oxo-2-[piperidin-4-yl-(4-pyridin-4-ylpiperazin-1-yl)methyl]prop-2-enoic acid hydrochloride Traditional Name: 3-keto-2-[4-piperidyl-[4-(4-pyridyl)piperazino]methyl]acrylic acid hydrochloride Formula: C18H25ClN4O3 MolecularWeight: 380.8691

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C(=C=O)C(=O)O)N2CCN(CC2)C3=CC=NC=C3.Cl

Isomeric SMILES

C1CNCCC1C(C(=C=O)C(=O)O)N2CCN(CC2)C3=CC=NC=C3.Cl

InChI

InChI=1S/C18H24N4O3.ClH/c23-13-16(18(24)25)17(14-1-5-19-6-2-14)22-11-9-21(10-12-22)15-3-7-20-8-4-15;/h3-4,7-8,14,17,19H,1-2,5-6,9-12H2,(H,24,25);1H