[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]azanium

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]azanium Openeye Name: [(3S)-1,1-dioxothiolan-3-yl]-ethyl-[(2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl]ammonium CAS Name: [(3S)-1,1-dioxo-3-thiolanyl]-ethyl-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [(3S)-1,1-dioxothiolan-3-yl]-ethyl-[(2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl]azanium Traditional Name: [(3S)-1,1-diketothiolan-3-yl]-ethyl-(2-hydroxy-5-isopropyl-4-methyl-benzyl)ammonium Formula: C17H28NO3S+ MolecularWeight: 326.47412

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=C(C(=C1)C(C)C)C)O)C2CCS(=O)(=O)C2

Isomeric SMILES

CC[NH+](CC1=C(C=C(C(=C1)C(C)C)C)O)[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C17H27NO3S/c1-5-18(15-6-7-22(20,21)11-15)10-14-9-16(12(2)3)13(4)8-17(14)19/h8-9,12,15,19H,5-7,10-11H2,1-4H3/p+1/t15-/m0/s1