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

Systemtic Name: N-(3-methylphenyl)-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-(m-tolyl)propanamide CAS Name: N-(3-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: N-(3-methylphenyl)-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-(m-tolyl)propionamide Formula: C23H31N3O+2 MolecularWeight: 365.51174

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O/c1-20-7-5-11-22(19-20)24-23(27)12-14-26-17-15-25(16-18-26)13-6-10-21-8-3-2-4-9-21/h2-11,19H,12-18H2,1H3,(H,24,27)/p+2/b10-6+