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

Systemtic Name: (E)-1-[4-(2-oxidanyl-2-phenyl-propyl)piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one chloride Openeye Name: (E)-1-[4-(2-hydroxy-2-phenyl-propyl)piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one chloride CAS Name: (E)-1-[4-(2-hydroxy-2-phenylpropyl)-1-piperazin-4-iumyl]-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one chloride IUPAC Name: (E)-1-[4-(2-hydroxy-2-phenylpropyl)piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one chloride Traditional Name: (E)-1-[4-(2-hydroxy-2-phenyl-propyl)piperazin-4-ium-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one chloride Formula: C25H33ClN2O5 MolecularWeight: 476.99292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCN(CC1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C25H32N2O5.ClH/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/b11-10+;