[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(3S)-1,1-dioxothiolan-3-yl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(3S)-1,1-dioxo-3-thiolanyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(3S)-1,1-dioxothiolan-3-yl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(3S)-1,1-diketothiolan-3-yl]ammonium Formula: C12H17BrNO4S+ MolecularWeight: 351.23668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCS(=O)(=O)C2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+][C@H]2CCS(=O)(=O)C2)Br)O

InChI

InChI=1S/C12H16BrNO4S/c1-18-11-5-8(4-10(13)12(11)15)6-14-9-2-3-19(16,17)7-9/h4-5,9,14-15H,2-3,6-7H2,1H3/p+1/t9-/m0/s1