(5-methyl-2-propan-2-yl-cyclohexyl) 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate chloride

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate chloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(1,3-benzothiazol-3-ium-3-yl)acetate chloride CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester chloride IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(1,3-benzothiazol-3-ium-3-yl)acetate chloride Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride Formula: C19H26ClNO2S MolecularWeight: 367.93324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C[N+]2=CSC3=CC=CC=C32)C(C)C.[Cl-]

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C[N+]2=CSC3=CC=CC=C32)C(C)C.[Cl-]

InChI

InChI=1S/C19H26NO2S.ClH/c1-13(2)15-9-8-14(3)10-17(15)22-19(21)11-20-12-23-18-7-5-4-6-16(18)20;/h4-7,12-15,17H,8-11H2,1-3H3;1H/q+1;/p-1