[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]butan-2-yl]azanium Openeye Name: [(1S)-1-(4-benzylpiperidine-1-carbonyl)-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-4-(methylthio)-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]butan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-benzylpiperidin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(4-benzylpiperidine-1-carbonyl)-3-(methylthio)propyl]ammonium Formula: C17H27N2OS+ MolecularWeight: 307.47408

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C17H26N2OS/c1-21-12-9-16(18)17(20)19-10-7-15(8-11-19)13-14-5-3-2-4-6-14/h2-6,15-16H,7-13,18H2,1H3/p+1/t16-/m0/s1