(E)-3-(3-chlorophenyl)-4-(1-methylpiperazin-1-ium-1-yl)-1-phenylsulfanyl-but-3-en-2-one

Systemtic Name: (E)-3-(3-chlorophenyl)-4-(1-methylpiperazin-1-ium-1-yl)-1-phenylsulfanyl-but-3-en-2-one Openeye Name: (E)-3-(3-chlorophenyl)-4-(1-methylpiperazin-1-ium-1-yl)-1-phenylsulfanyl-but-3-en-2-one CAS Name: (E)-3-(3-chlorophenyl)-4-(1-methyl-1-piperazin-1-iumyl)-1-(phenylthio)-3-buten-2-one IUPAC Name: (E)-3-(3-chlorophenyl)-4-(1-methylpiperazin-1-ium-1-yl)-1-phenylsulfanylbut-3-en-2-one Traditional Name: (E)-3-(3-chlorophenyl)-4-(1-methylpiperazin-1-ium-1-yl)-1-(phenylthio)but-3-en-2-one Formula: C21H24ClN2OS+ MolecularWeight: 387.94606

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C=C(C2=CC(=CC=C2)Cl)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

C[N+]1(CCNCC1)/C=C(\C2=CC(=CC=C2)Cl)/C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN2OS/c1-24(12-10-23-11-13-24)15-20(17-6-5-7-18(22)14-17)21(25)16-26-19-8-3-2-4-9-19/h2-9,14-15,23H,10-13,16H2,1H3/q+1/b20-15+