[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(1,3-benzothiazol-3-ium-3-yl)ethanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-(1,3-benzothiazol-3-ium-3-yl)acetate CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(1,3-benzothiazol-3-ium-3-yl)acetate Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C19H26NO2S+ MolecularWeight: 332.48024

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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

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C[N+]2=CSC3=CC=CC=C32)C(C)C

InChI

InChI=1S/C19H26NO2S/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/q+1/t14-,15+,17-/m1/s1