[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]-ethyl-azanium

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]-ethyl-azanium Openeye Name: (6-bromo-2-hydroxy-1-naphthyl)methyl-[(3S)-1,1-dioxothiolan-3-yl]-ethyl-ammonium CAS Name: (6-bromo-2-hydroxy-1-naphthalenyl)methyl-[(3S)-1,1-dioxo-3-thiolanyl]-ethylammonium IUPAC Name: (6-bromo-2-hydroxynaphthalen-1-yl)methyl-[(3S)-1,1-dioxothiolan-3-yl]-ethylazanium Traditional Name: (6-bromo-2-hydroxy-1-naphthyl)methyl-[(3S)-1,1-diketothiolan-3-yl]-ethyl-ammonium Formula: C17H21BrNO3S+ MolecularWeight: 399.32254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=CC2=C1C=CC(=C2)Br)O)C3CCS(=O)(=O)C3

Isomeric SMILES

CC[NH+](CC1=C(C=CC2=C1C=CC(=C2)Br)O)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C17H20BrNO3S/c1-2-19(14-7-8-23(21,22)11-14)10-16-15-5-4-13(18)9-12(15)3-6-17(16)20/h3-6,9,14,20H,2,7-8,10-11H2,1H3/p+1/t14-/m0/s1