methyl 2-[2-[1-oxidanyl-6-(4-pentan-3-yloxyphenoxy)pyridin-1-ium-3-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[1-oxidanyl-6-(4-pentan-3-yloxyphenoxy)pyridin-1-ium-3-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[6-[4-(1-ethylpropoxy)phenoxy]-1-hydroxy-pyridin-1-ium-3-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[1-hydroxy-6-(4-pentan-3-yloxyphenoxy)-3-pyridin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[1-hydroxy-6-(4-pentan-3-yloxyphenoxy)pyridin-1-ium-3-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[6-[4-(1-ethylpropoxy)phenoxy]-1-hydroxy-pyridin-1-ium-3-yl]acetyl]amino]benzoic acid methyl ester Formula: C26H29N2O6+ MolecularWeight: 465.51826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=CC=C(C=C1)OC2=[N+](C=C(C=C2)CC(=O)NC3=CC=CC=C3C(=O)OC)O

Isomeric SMILES

CCC(CC)OC1=CC=C(C=C1)OC2=[N+](C=C(C=C2)CC(=O)NC3=CC=CC=C3C(=O)OC)O

InChI

InChI=1S/C26H28N2O6/c1-4-19(5-2)33-20-11-13-21(14-12-20)34-25-15-10-18(17-28(25)31)16-24(29)27-23-9-7-6-8-22(23)26(30)32-3/h6-15,17,19H,4-5,16H2,1-3H3,(H-,27,29,30,31)/p+1