(E)-1-[(3R,4R)-1-ethyl-4-[(E)-2-(4-ethylphenyl)ethenyl]-4-oxidanyl-piperidin-1-ium-3-yl]-3-(4-ethylphenyl)prop-2-en-1-one chloride

Systemtic Name: (E)-1-[(3R,4R)-1-ethyl-4-[(E)-2-(4-ethylphenyl)ethenyl]-4-oxidanyl-piperidin-1-ium-3-yl]-3-(4-ethylphenyl)prop-2-en-1-one chloride Openeye Name: (E)-1-[(3R,4R)-1-ethyl-4-[(E)-2-(4-ethylphenyl)vinyl]-4-hydroxy-piperidin-1-ium-3-yl]-3-(4-ethylphenyl)prop-2-en-1-one chloride CAS Name: (E)-1-[(3R,4R)-1-ethyl-4-[(E)-2-(4-ethylphenyl)ethenyl]-4-hydroxy-3-piperidin-1-iumyl]-3-(4-ethylphenyl)-2-propen-1-one chloride IUPAC Name: (E)-1-[(3R,4R)-1-ethyl-4-[(E)-2-(4-ethylphenyl)ethenyl]-4-hydroxypiperidin-1-ium-3-yl]-3-(4-ethylphenyl)prop-2-en-1-one chloride Traditional Name: (E)-1-[(3R,4R)-1-ethyl-4-[(E)-2-(4-ethylphenyl)vinyl]-4-hydroxy-piperidin-1-ium-3-yl]-3-(4-ethylphenyl)prop-2-en-1-one chloride Formula: C28H36ClNO2 MolecularWeight: 454.04394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC(=O)C2C[NH+](CCC2(C=CC3=CC=C(C=C3)CC)O)CC.[Cl-]

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C(=O)[C@@H]2C[NH+](CC[C@]2(/C=C/C3=CC=C(C=C3)CC)O)CC.[Cl-]

InChI

InChI=1S/C28H35NO2.ClH/c1-4-22-7-11-24(12-8-22)15-16-27(30)26-21-29(6-3)20-19-28(26,31)18-17-25-13-9-23(5-2)10-14-25;/h7-18,26,31H,4-6,19-21H2,1-3H3;1H/b16-15+,18-17+;/t26-,28-;/m0./s1