(E)-3-phenyl-1-piperazin-1-yl-prop-2-en-1-one hydrate hydrochloride

Systemtic Name: (E)-3-phenyl-1-piperazin-1-yl-prop-2-en-1-one hydrate hydrochloride Openeye Name: (E)-3-phenyl-1-piperazin-1-yl-prop-2-en-1-one hydrate hydrochloride CAS Name: (E)-3-phenyl-1-(1-piperazinyl)-2-propen-1-one hydrate hydrochloride IUPAC Name: (E)-3-phenyl-1-piperazin-1-ylprop-2-en-1-one hydrate hydrochloride Traditional Name: (E)-3-phenyl-1-piperazino-prop-2-en-1-one hydrate hydrochloride Formula: C13H19ClN2O2 MolecularWeight: 270.75516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C=CC2=CC=CC=C2.O.Cl

Isomeric SMILES

C1CN(CCN1)C(=O)/C=C/C2=CC=CC=C2.O.Cl

InChI

InChI=1S/C13H16N2O.ClH.H2O/c16-13(15-10-8-14-9-11-15)7-6-12-4-2-1-3-5-12;;/h1-7,14H,8-11H2;1H;1H2/b7-6+;;