dimethyl-[2-[(5S)-5-[(4-methylsulfanylphenyl)methylcarbamoyl]-2-oxidanylidene-piperidin-1-yl]ethyl]azanium

Systemtic Name: dimethyl-[2-[(5S)-5-[(4-methylsulfanylphenyl)methylcarbamoyl]-2-oxidanylidene-piperidin-1-yl]ethyl]azanium Openeye Name: dimethyl-[2-[(5S)-5-[(4-methylsulfanylphenyl)methylcarbamoyl]-2-oxo-1-piperidyl]ethyl]ammonium CAS Name: dimethyl-[2-[(5S)-5-[[[4-(methylthio)phenyl]methylamino]-oxomethyl]-2-oxo-1-piperidinyl]ethyl]ammonium IUPAC Name: dimethyl-[2-[(5S)-5-[(4-methylsulfanylphenyl)methylcarbamoyl]-2-oxopiperidin-1-yl]ethyl]azanium Traditional Name: 2-[(5S)-2-keto-5-[[4-(methylthio)benzyl]carbamoyl]piperidino]ethyl-dimethyl-ammonium Formula: C18H28N3O2S+ MolecularWeight: 350.49882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1CC(CCC1=O)C(=O)NCC2=CC=C(C=C2)SC

Isomeric SMILES

C[NH+](C)CCN1C[C@H](CCC1=O)C(=O)NCC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H27N3O2S/c1-20(2)10-11-21-13-15(6-9-17(21)22)18(23)19-12-14-4-7-16(24-3)8-5-14/h4-5,7-8,15H,6,9-13H2,1-3H3,(H,19,23)/p+1/t15-/m0/s1