1-cyclohexyl-1-(phenylmethyl)-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione chloride

Systemtic Name: 1-cyclohexyl-1-(phenylmethyl)-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione chloride Openeye Name: 1-benzyl-1-cyclohexyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione chloride CAS Name: 1-cyclohexyl-1-(phenylmethyl)-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione chloride IUPAC Name: 1-benzyl-1-cyclohexyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione chloride Traditional Name: 1-benzyl-1-cyclohexyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione chloride Formula: C20H26ClNS2 MolecularWeight: 380.01014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2(C3=C(CCCC3)C(=S)S2)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CCC(CC1)[N+]2(C3=C(CCCC3)C(=S)S2)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C20H26NS2.ClH/c22-20-18-13-7-8-14-19(18)21(23-20,17-11-5-2-6-12-17)15-16-9-3-1-4-10-16;/h1,3-4,9-10,17H,2,5-8,11-15H2;1H/q+1;/p-1