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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]propanamide CAS Name: N-(3-chloro-2-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]propionamide Formula: C23H29ClN3O+ MolecularWeight: 398.94886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCN2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCN2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H28ClN3O/c1-19-21(24)10-5-11-22(19)25-23(28)12-14-27-17-15-26(16-18-27)13-6-9-20-7-3-2-4-8-20/h2-11H,12-18H2,1H3,(H,25,28)/p+1/b9-6+