1-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione

Systemtic Name: 1-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione Openeye Name: 1-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione CAS Name: 1-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione IUPAC Name: 1-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione Traditional Name: 1-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione Formula: C16H19BrNS2+ MolecularWeight: 369.36276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)[N+]2(C3=C(CCCC3)C(=S)S2)C

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)Br)[N+]2(C3=C(CCCC3)C(=S)S2)C

InChI

InChI=1S/C16H19BrNS2/c1-11(12-7-9-13(17)10-8-12)18(2)15-6-4-3-5-14(15)16(19)20-18/h7-11H,3-6H2,1-2H3/q+1/t11-,18?/m1/s1