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

Systemtic Name: phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone chloride Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-phenyl-methanone chloride CAS Name: phenyl-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone chloride IUPAC Name: phenyl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone chloride Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-phenyl-methanone chloride Formula: C20H23ClN2O MolecularWeight: 342.86242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H22N2O.ClH/c23-20(19-11-5-2-6-12-19)22-16-14-21(15-17-22)13-7-10-18-8-3-1-4-9-18;/h1-12H,13-17H2;1H/b10-7+;