2-hexyldecyl 6-chloranyl-1-oxidanidyl-pyridin-1-ium-3-carboxylate

Systemtic Name: 2-hexyldecyl 6-chloranyl-1-oxidanidyl-pyridin-1-ium-3-carboxylate Openeye Name: 2-hexyldecyl 6-chloro-1-oxido-pyridin-1-ium-3-carboxylate CAS Name: 6-chloro-1-oxido-3-pyridin-1-iumcarboxylic acid 2-hexyldecyl ester IUPAC Name: 2-hexyldecyl 6-chloro-1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 6-chloro-1-oxido-pyridin-1-ium-3-carboxylic acid 2-hexyldecyl ester Formula: C22H36ClNO3 MolecularWeight: 397.97914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)COC(=O)C1=C[N+](=C(C=C1)Cl)[O-]

Isomeric SMILES

CCCCCCCCC(CCCCCC)COC(=O)C1=C[N+](=C(C=C1)Cl)[O-]

InChI

InChI=1S/C22H36ClNO3/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)18-27-22(25)20-15-16-21(23)24(26)17-20/h15-17,19H,3-14,18H2,1-2H3