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

Systemtic Name: N-(2-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-N-(o-tolyl)propanamide CAS Name: N-(2-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(2-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-N-(o-tolyl)propionamide Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCN2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCN2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O/c1-20-8-5-6-12-22(20)24-23(27)13-15-26-18-16-25(17-19-26)14-7-11-21-9-3-2-4-10-21/h2-12H,13-19H2,1H3,(H,24,27)/p+1/b11-7+