methyl-[2-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: methyl-[2-[(3S)-3-(2-methylsulfanylphenyl)carbonylpiperidin-1-yl]-2-oxidanylidene-ethyl]-(pyridin-3-ylmethyl)azanium Openeye Name: methyl-[2-[(3S)-3-(2-methylsulfanylbenzoyl)-1-piperidyl]-2-oxo-ethyl]-(3-pyridylmethyl)ammonium CAS Name: methyl-[2-[(3S)-3-[[2-(methylthio)phenyl]-oxomethyl]-1-piperidinyl]-2-oxoethyl]-(3-pyridinylmethyl)ammonium IUPAC Name: methyl-[2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [2-keto-2-[(3S)-3-[2-(methylthio)benzoyl]piperidino]ethyl]-methyl-(3-pyridylmethyl)ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=CC=C1)CC(=O)N2CCCC(C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

C[NH+](CC1=CN=CC=C1)CC(=O)N2CCC[C@@H](C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C22H27N3O2S/c1-24(14-17-7-5-11-23-13-17)16-21(26)25-12-6-8-18(15-25)22(27)19-9-3-4-10-20(19)28-2/h3-5,7,9-11,13,18H,6,8,12,14-16H2,1-2H3/p+1/t18-/m0/s1