(E)-3-(3-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(3-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(3-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(3-chlorophenyl)-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(3-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(3-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acrylamide Formula: C21H25ClN3O+ MolecularWeight: 370.8957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C=CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)/C=C/C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O/c1-16-14-19(25-12-10-24(2)11-13-25)7-8-20(16)23-21(26)9-6-17-4-3-5-18(22)15-17/h3-9,14-15H,10-13H2,1-2H3,(H,23,26)/p+1/b9-6+