(4-ethylpiperazin-4-ium-1-yl)-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[4-(p-tolylsulfanylmethyl)phenyl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[4-[[(4-methylphenyl)thio]methyl]phenyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[4-[(p-tolylthio)methyl]phenyl]methanone Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2OS/c1-3-22-12-14-23(15-13-22)21(24)19-8-6-18(7-9-19)16-25-20-10-4-17(2)5-11-20/h4-11H,3,12-16H2,1-2H3/p+1