N-(3,5-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(3,5-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Openeye Name: 3-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(3,5-dimethylphenyl)propanamide CAS Name: N-(3,5-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: N-(3,5-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propanamide Traditional Name: 3-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]-N-(3,5-dimethylphenyl)propionamide Formula: C24H33N3O+2 MolecularWeight: 379.53832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CC[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C24H31N3O/c1-20-17-21(2)19-23(18-20)25-24(28)10-12-27-15-13-26(14-16-27)11-6-9-22-7-4-3-5-8-22/h3-9,17-19H,10-16H2,1-2H3,(H,25,28)/p+2/b9-6+