[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(7-methyl-2-oxidanylidene-1-phenethyl-quinolin-3-yl)methyl]azanium

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(7-methyl-2-oxidanylidene-1-phenethyl-quinolin-3-yl)methyl]azanium Openeye Name: [(3S)-1,1-dioxothiolan-3-yl]-[(7-methyl-2-oxo-1-phenethyl-3-quinolyl)methyl]ammonium CAS Name: [(3S)-1,1-dioxo-3-thiolanyl]-[(7-methyl-2-oxo-1-phenethyl-3-quinolinyl)methyl]ammonium IUPAC Name: [(3S)-1,1-dioxothiolan-3-yl]-[(7-methyl-2-oxo-1-phenethylquinolin-3-yl)methyl]azanium Traditional Name: [(3S)-1,1-diketothiolan-3-yl]-[(2-keto-7-methyl-1-phenethyl-3-quinolyl)methyl]ammonium Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2CCC3=CC=CC=C3)C[NH2+]C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2CCC3=CC=CC=C3)C[NH2+][C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C23H26N2O3S/c1-17-7-8-19-14-20(15-24-21-10-12-29(27,28)16-21)23(26)25(22(19)13-17)11-9-18-5-3-2-4-6-18/h2-8,13-14,21,24H,9-12,15-16H2,1H3/p+1/t21-/m0/s1