[5-[(2-chlorophenyl)methyl]-5-oxidanyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ium-2-yl] 2,2-dimethylpropanoate

Systemtic Name: [5-[(2-chlorophenyl)methyl]-5-oxidanyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ium-2-yl] 2,2-dimethylpropanoate Openeye Name: [5-[(2-chlorophenyl)methyl]-5-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ium-2-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-[(2-chlorophenyl)methyl]-5-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ium-2-yl] ester IUPAC Name: [5-[(2-chlorophenyl)methyl]-5-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ium-2-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-(2-chlorobenzyl)-5-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ium-2-yl] ester Formula: C19H23ClNO3S+ MolecularWeight: 380.90882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC2=C(S1)CC[N+](C2)(CC3=CC=CC=C3Cl)O

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC2=C(S1)CC[N+](C2)(CC3=CC=CC=C3Cl)O

InChI

InChI=1S/C19H23ClNO3S/c1-19(2,3)18(22)24-17-10-14-12-21(23,9-8-16(14)25-17)11-13-6-4-5-7-15(13)20/h4-7,10,23H,8-9,11-12H2,1-3H3/q+1