2,2-dimethyl-3-(2-methylphenyl)sulfanyl-1-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: 2,2-dimethyl-3-(2-methylphenyl)sulfanyl-1-piperazin-4-ium-1-yl-propan-1-one Openeye Name: 2,2-dimethyl-3-(o-tolylsulfanyl)-1-piperazin-4-ium-1-yl-propan-1-one CAS Name: 2,2-dimethyl-3-[(2-methylphenyl)thio]-1-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: 2,2-dimethyl-3-(2-methylphenyl)sulfanyl-1-piperazin-4-ium-1-ylpropan-1-one Traditional Name: 2,2-dimethyl-3-(o-tolylthio)-1-piperazin-4-ium-1-yl-propan-1-one Formula: C16H25N2OS+ MolecularWeight: 293.4475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(C)(C)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=CC=C1SCC(C)(C)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C16H24N2OS/c1-13-6-4-5-7-14(13)20-12-16(2,3)15(19)18-10-8-17-9-11-18/h4-7,17H,8-12H2,1-3H3/p+1