(E)-3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-1-ium-3-yl-prop-2-en-1-one chloride

Systemtic Name: (E)-3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-1-ium-3-yl-prop-2-en-1-one chloride Openeye Name: (E)-3-[2-[2-(1-piperidyl)ethoxy]phenyl]-1-pyridin-1-ium-3-yl-prop-2-en-1-one chloride CAS Name: (E)-3-[2-[2-(1-piperidinyl)ethoxy]phenyl]-1-(3-pyridin-1-iumyl)-2-propen-1-one chloride IUPAC Name: (E)-3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-1-ium-3-ylprop-2-en-1-one chloride Traditional Name: (E)-3-[2-(2-piperidinoethoxy)phenyl]-1-pyridin-1-ium-3-yl-prop-2-en-1-one chloride Formula: C21H25ClN2O2 MolecularWeight: 372.8884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=CC=C2C=CC(=O)C3=C[NH+]=CC=C3.[Cl-]

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=CC=C2/C=C/C(=O)C3=C[NH+]=CC=C3.[Cl-]

InChI

InChI=1S/C21H24N2O2.ClH/c24-20(19-8-6-12-22-17-19)11-10-18-7-2-3-9-21(18)25-16-15-23-13-4-1-5-14-23;/h2-3,6-12,17H,1,4-5,13-16H2;1H/b11-10+;