ethyl 1-[(6-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-chloro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-chloro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H20ClN2O3S+ MolecularWeight: 355.8596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Cl)OC2=S

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Cl)OC2=S

InChI

InChI=1S/C16H19ClN2O3S/c1-2-21-15(20)11-5-7-18(8-6-11)10-19-13-4-3-12(17)9-14(13)22-16(19)23/h3-4,9,11H,2,5-8,10H2,1H3/p+1