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

Systemtic Name: [(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-[4-(4-methoxyphenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-(methylthio)propyl]ammonium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CCSC)[NH3+]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C16H25N3O2S/c1-21-14-5-3-13(4-6-14)18-8-10-19(11-9-18)16(20)15(17)7-12-22-2/h3-6,15H,7-12,17H2,1-2H3/p+1/t15-/m0/s1