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

Systemtic Name: N-(2,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(E)-cinnamyl]-N-(2,5-dimethylphenyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,5-dimethylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(E)-cinnamyl]-N-(2,5-dimethylphenyl)piperazin-4-ium-1-carboxamide Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O/c1-18-10-11-19(2)21(17-18)23-22(26)25-15-13-24(14-16-25)12-6-9-20-7-4-3-5-8-20/h3-11,17H,12-16H2,1-2H3,(H,23,26)/p+1/b9-6+