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

Systemtic Name: 1-methyl-1-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione Openeye Name: 1-methyl-1-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione CAS Name: 1-methyl-1-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione IUPAC Name: 1-methyl-1-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione Traditional Name: 1-methyl-1-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione Formula: C16H20NS2+ MolecularWeight: 290.4667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20NS2/c1-12(13-8-4-3-5-9-13)17(2)15-11-7-6-10-14(15)16(18)19-17/h3-5,8-9,12H,6-7,10-11H2,1-2H3/q+1/t12-,17?/m1/s1