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

Systemtic Name: 2-ethyl-8-[(2R)-1-methylsulfanylpropan-2-yl]-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Openeye Name: 2-ethyl-8-[(1R)-1-methyl-2-methylsulfanyl-ethyl]-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione CAS Name: 2-ethyl-8-[(2R)-1-(methylthio)propan-2-yl]-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione IUPAC Name: 2-ethyl-8-[(2R)-1-methylsulfanylpropan-2-yl]-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-dione Traditional Name: 2-ethyl-8-[(1R)-1-methyl-2-(methylthio)ethyl]-4-phenethyl-2,4-diaza-8-azoniaspiro[4.5]decane-1,3-quinone Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2(CC[NH+](CC2)C(C)CSC)N(C1=O)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)C2(CC[NH+](CC2)[C@H](C)CSC)N(C1=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O2S/c1-4-23-19(25)21(11-14-22(15-12-21)17(2)16-27-3)24(20(23)26)13-10-18-8-6-5-7-9-18/h5-9,17H,4,10-16H2,1-3H3/p+1/t17-/m1/s1