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

Systemtic Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-[4-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-[4-(methylthio)phenyl]acrylamide Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C=CC3=CC=C(C=C3)SC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)/C=C/C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H25N3OS/c1-23-13-15-24(16-14-23)20-6-4-3-5-19(20)22-21(25)12-9-17-7-10-18(26-2)11-8-17/h3-12H,13-16H2,1-2H3,(H,22,25)/p+1/b12-9+