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

Systemtic Name: N-(2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(o-tolyl)acetamide Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O/c1-19-8-5-6-12-21(19)23-22(26)18-25-16-14-24(15-17-25)13-7-11-20-9-3-2-4-10-20/h2-12H,13-18H2,1H3,(H,23,26)/p+1/b11-7+