(3,5-dimethylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,5-dimethylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone CAS Name: (3,5-dimethylphenyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,5-dimethylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(3,5-dimethylphenyl)methanone Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O/c1-18-15-19(2)17-21(16-18)22(25)24-13-11-23(12-14-24)10-6-9-20-7-4-3-5-8-20/h3-9,15-17H,10-14H2,1-2H3/p+1/b9-6+