methyl 6-chloranyl-1-[(2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)methyl]cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: methyl 6-chloranyl-1-[(2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)methyl]cyclohexa-2,4-diene-1-carboxylate Openeye Name: methyl 6-chloro-1-[[2-(2-thienyl)-4,5-dihydrooxazol-3-ium-3-yl]methyl]cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-chloro-1-[(2-thiophen-2-yl-4,5-dihydrooxazol-3-ium-3-yl)methyl]-1-cyclohexa-2,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 6-chloro-1-[(2-thiophen-2-yl-4,5-dihydro-1,3-oxazol-3-ium-3-yl)methyl]cyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-chloro-1-[[2-(2-thienyl)-2-oxazolin-3-ium-3-yl]methyl]cyclohexa-2,4-diene-1-carboxylic acid methyl ester Formula: C16H17ClNO3S+ MolecularWeight: 338.82908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C=CC=CC1Cl)C[N+]2=C(OCC2)C3=CC=CS3

Isomeric SMILES

COC(=O)C1(C=CC=CC1Cl)C[N+]2=C(OCC2)C3=CC=CS3

InChI

InChI=1S/C16H17ClNO3S/c1-20-15(19)16(7-3-2-6-13(16)17)11-18-8-9-21-14(18)12-5-4-10-22-12/h2-7,10,13H,8-9,11H2,1H3/q+1