8-[(2S)-1-methylsulfanylpropan-2-yl]-4-phenethyl-2-propan-2-yl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione

Systemtic Name: 8-[(2S)-1-methylsulfanylpropan-2-yl]-4-phenethyl-2-propan-2-yl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 2-isopropyl-8-[(1S)-1-methyl-2-methylsulfanyl-ethyl]-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 8-[(2S)-1-(methylthio)propan-2-yl]-4-phenethyl-2-propan-2-yl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 8-[(2S)-1-methylsulfanylpropan-2-yl]-4-phenethyl-2-propan-2-yl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 2-isopropyl-8-[(1S)-1-methyl-2-(methylthio)ethyl]-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C22H34N3O2S+ MolecularWeight: 404.58926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2(CC[NH+](CC2)C(C)CSC)N(C1=O)CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](CSC)[NH+]1CCC2(CC1)C(=O)N(C(=O)N2CCC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C22H33N3O2S/c1-17(2)25-20(26)22(11-14-23(15-12-22)18(3)16-28-4)24(21(25)27)13-10-19-8-6-5-7-9-19/h5-9,17-18H,10-16H2,1-4H3/p+1/t18-/m0/s1