[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-3-(methylthio)propyl]ammonium Formula: C17H28N3OS+ MolecularWeight: 322.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(CCSC)[NH3+])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)[C@H](CCSC)[NH3+])C

InChI

InChI=1S/C17H27N3OS/c1-13-5-4-6-16(14(13)2)19-8-10-20(11-9-19)17(21)15(18)7-12-22-3/h4-6,15H,7-12,18H2,1-3H3/p+1/t15-/m0/s1