1-(4-methylphenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-methylphenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-(p-tolyl)butane-1,4-dione CAS Name: 1-(4-methylphenyl)-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(4-methylphenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-(p-tolyl)butane-1,4-dione Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O2/c1-20-9-11-22(12-10-20)23(27)13-14-24(28)26-18-16-25(17-19-26)15-5-8-21-6-3-2-4-7-21/h2-12H,13-19H2,1H3/p+1/b8-5+