3-[[(4-methoxyphenyl)methyl-methyl-azaniumyl]methyl]-1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: 3-[[(4-methoxyphenyl)methyl-methyl-azaniumyl]methyl]-1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: 1,4-dihydroxy-3-[[(4-methoxyphenyl)methyl-methyl-ammonio]methyl]naphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-3-[[(4-methoxyphenyl)methyl-methylammonio]methyl]-2-naphthalenecarboxylate IUPAC Name: 1,4-dihydroxy-3-[[(4-methoxyphenyl)methyl-methylazaniumyl]methyl]naphthalene-2-carboxylate Traditional Name: 1,4-dihydroxy-3-[[methyl(p-anisyl)ammonio]methyl]-2-naphthoate Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OC)CC2=C(C3=CC=CC=C3C(=C2C(=O)[O-])O)O

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OC)CC2=C(C3=CC=CC=C3C(=C2C(=O)[O-])O)O

InChI

InChI=1S/C21H21NO5/c1-22(11-13-7-9-14(27-2)10-8-13)12-17-18(21(25)26)20(24)16-6-4-3-5-15(16)19(17)23/h3-10,23-24H,11-12H2,1-2H3,(H,25,26)