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

Systemtic Name: methyl 2-[2-[1-oxidanyl-6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-pyridin-1-ium-3-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[6-[[6-(1-ethylpropoxy)-2-naphthyl]oxy]-1-hydroxy-pyridin-1-ium-3-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[1-hydroxy-6-[(6-pentan-3-yloxy-2-naphthalenyl)oxy]-3-pyridin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[1-hydroxy-6-(6-pentan-3-yloxynaphthalen-2-yl)oxypyridin-1-ium-3-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[6-[6-(1-ethylpropoxy)-2-naphthoxy]-1-hydroxy-pyridin-1-ium-3-yl]acetyl]amino]benzoic acid methyl ester Formula: C30H31N2O6+ MolecularWeight: 515.57694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=CC2=C(C=C1)C=C(C=C2)OC3=[N+](C=C(C=C3)CC(=O)NC4=CC=CC=C4C(=O)OC)O

Isomeric SMILES

CCC(CC)OC1=CC2=C(C=C1)C=C(C=C2)OC3=[N+](C=C(C=C3)CC(=O)NC4=CC=CC=C4C(=O)OC)O

InChI

InChI=1S/C30H30N2O6/c1-4-23(5-2)37-24-13-11-22-18-25(14-12-21(22)17-24)38-29-15-10-20(19-32(29)35)16-28(33)31-27-9-7-6-8-26(27)30(34)36-3/h6-15,17-19,23H,4-5,16H2,1-3H3,(H-,31,33,34,35)/p+1