1-methyl-1-phenethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione

Systemtic Name: 1-methyl-1-phenethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione Openeye Name: 1-methyl-1-phenethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione CAS Name: 1-methyl-1-phenethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione IUPAC Name: 1-methyl-1-phenethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione Traditional Name: 1-methyl-1-phenethyl-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:

C[N+]1(C2=C(CCCC2)C(=S)S1)CCC3=CC=CC=C3

Isomeric SMILES

C[N+]1(C2=C(CCCC2)C(=S)S1)CCC3=CC=CC=C3

InChI

InChI=1S/C16H20NS2/c1-17(12-11-13-7-3-2-4-8-13)15-10-6-5-9-14(15)16(18)19-17/h2-4,7-8H,5-6,9-12H2,1H3/q+1