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

Systemtic Name: N-(3-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide chloride Openeye Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-N-(m-tolyl)propanamide chloride CAS Name: N-(3-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propanamide chloride IUPAC Name: N-(3-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide chloride Traditional Name: 3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-N-(m-tolyl)propionamide chloride Formula: C23H30ClN3O MolecularWeight: 399.9568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCN2CC[NH+](CC2)CC=CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCN2CC[NH+](CC2)C/C=C/C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H29N3O.ClH/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);1H/b10-6+;