(E)-1-[4-(2-oxidanyl-2-phenyl-propyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one hydrate hydrochloride

Systemtic Name: (E)-1-[4-(2-oxidanyl-2-phenyl-propyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one hydrate hydrochloride Openeye Name: (E)-1-[4-(2-hydroxy-2-phenyl-propyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one hydrate hydrochloride CAS Name: (E)-1-[4-(2-hydroxy-2-phenylpropyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one hydrate hydrochloride IUPAC Name: (E)-1-[4-(2-hydroxy-2-phenylpropyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one hydrate hydrochloride Traditional Name: (E)-1-[4-(2-hydroxy-2-phenyl-propyl)piperazino]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one hydrate hydrochloride Formula: C25H35ClN2O6 MolecularWeight: 495.0082

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC)(C3=CC=CC=C3)O.O.Cl

Isomeric SMILES

CC(CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)(C3=CC=CC=C3)O.O.Cl

InChI

InChI=1S/C25H32N2O5.ClH.H2O/c1-25(29,20-8-6-5-7-9-20)18-26-12-14-27(15-13-26)23(28)11-10-19-16-21(30-2)24(32-4)22(17-19)31-3;;/h5-11,16-17,29H,12-15,18H2,1-4H3;1H;1H2/b11-10+;;