N-(4-chloranyl-3-methyl-phenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]benzamide

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]benzamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]benzamide CAS Name: N-(4-chloro-3-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]benzamide IUPAC Name: N-(4-chloro-3-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]benzamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-4-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]benzamide Formula: C28H31ClN3O+ MolecularWeight: 461.01824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CC[NH+](CC3)CC=CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H30ClN3O/c1-22-20-26(13-14-27(22)29)30-28(33)25-11-9-24(10-12-25)21-32-18-16-31(17-19-32)15-5-8-23-6-3-2-4-7-23/h2-14,20H,15-19,21H2,1H3,(H,30,33)/p+1/b8-5+