(2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone chloride

Systemtic Name: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone chloride Openeye Name: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone chloride CAS Name: (2E)-2-[(4-methyl-1-piperazin-4-iumyl)imino]-1-[4-(phenylthio)phenyl]ethanone chloride IUPAC Name: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-phenylsulfanylphenyl)ethanone chloride Traditional Name: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-[4-(phenylthio)phenyl]ethanone chloride Formula: C19H22ClN3OS MolecularWeight: 375.91548

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC(=O)C2=CC=C(C=C2)SC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C/C(=O)C2=CC=C(C=C2)SC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C19H21N3OS.ClH/c1-21-11-13-22(14-12-21)20-15-19(23)16-7-9-18(10-8-16)24-17-5-3-2-4-6-17;/h2-10,15H,11-14H2,1H3;1H/b20-15+;