3-[2-methyl-3,4-bis(oxidanyl)pyridin-1-ium-1-yl]propyl 4-ethoxybenzoate

Systemtic Name: 3-[2-methyl-3,4-bis(oxidanyl)pyridin-1-ium-1-yl]propyl 4-ethoxybenzoate Openeye Name: 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid 3-(3,4-dihydroxy-2-methyl-1-pyridin-1-iumyl)propyl ester IUPAC Name: 3-(3,4-dihydroxy-2-methylpyridin-1-ium-1-yl)propyl 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid 3-(3,4-dihydroxy-2-methyl-pyridin-1-ium-1-yl)propyl ester Formula: C18H22NO5+ MolecularWeight: 332.37098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCCC[N+]2=C(C(=C(C=C2)O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCCC[N+]2=C(C(=C(C=C2)O)O)C

InChI

InChI=1S/C18H21NO5/c1-3-23-15-7-5-14(6-8-15)18(22)24-12-4-10-19-11-9-16(20)17(21)13(19)2/h5-9,11,21H,3-4,10,12H2,1-2H3/p+1