(2-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone chloride

Systemtic Name: (2-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone chloride Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(o-tolyl)methanone chloride CAS Name: (2-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone chloride IUPAC Name: (2-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone chloride Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(o-tolyl)methanone chloride Formula: C21H25ClN2O MolecularWeight: 356.889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H24N2O.ClH/c1-18-8-5-6-12-20(18)21(24)23-16-14-22(15-17-23)13-7-11-19-9-3-2-4-10-19;/h2-12H,13-17H2,1H3;1H/b11-7+;