2,2-dimethyl-3-phenylsulfanyl-1-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: 2,2-dimethyl-3-phenylsulfanyl-1-piperazin-4-ium-1-yl-propan-1-one Openeye Name: 2,2-dimethyl-3-phenylsulfanyl-1-piperazin-4-ium-1-yl-propan-1-one CAS Name: 2,2-dimethyl-3-(phenylthio)-1-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: 2,2-dimethyl-3-phenylsulfanyl-1-piperazin-4-ium-1-ylpropan-1-one Traditional Name: 2,2-dimethyl-3-(phenylthio)-1-piperazin-4-ium-1-yl-propan-1-one Formula: C15H23N2OS+ MolecularWeight: 279.42092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC1=CC=CC=C1)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC(C)(CSC1=CC=CC=C1)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C15H22N2OS/c1-15(2,12-19-13-6-4-3-5-7-13)14(18)17-10-8-16-9-11-17/h3-7,16H,8-12H2,1-2H3/p+1