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

Systemtic Name: [(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[4-(m-tolyl)piperazine-1-carbonyl]propyl]ammonium CAS Name: [(2S)-1-[4-(3-methylphenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-3-(methylthio)-1-[4-(m-tolyl)piperazine-1-carbonyl]propyl]ammonium Formula: C16H26N3OS+ MolecularWeight: 308.46214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3OS/c1-13-4-3-5-14(12-13)18-7-9-19(10-8-18)16(20)15(17)6-11-21-2/h3-5,12,15H,6-11,17H2,1-2H3/p+1/t15-/m0/s1