[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-[(3S)-1,1-dioxothiolan-3-yl]ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-[(3S)-1,1-dioxo-3-thiolanyl]ammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-[(3S)-1,1-dioxothiolan-3-yl]azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-[(3S)-1,1-diketothiolan-3-yl]ammonium Formula: C18H21BrNO3S+ MolecularWeight: 411.33324

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C18H20BrNO3S/c19-16-6-7-18(23-12-14-4-2-1-3-5-14)15(10-16)11-20-17-8-9-24(21,22)13-17/h1-7,10,17,20H,8-9,11-13H2/p+1/t17-/m0/s1