(4-methylpiperazin-4-ium-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[4-[(phenylthio)methyl]phenyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[4-[(phenylthio)methyl]phenyl]methanone Formula: C19H23N2OS+ MolecularWeight: 327.46372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C19H22N2OS/c1-20-11-13-21(14-12-20)19(22)17-9-7-16(8-10-17)15-23-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3/p+1