[2-[(6-methoxynaphthalen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[(6-methoxynaphthalen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[(6-methoxy-2-naphthyl)methyl-methyl-amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[(6-methoxy-2-naphthalenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[(6-methoxy-2-naphthyl)methyl-methyl-amino]ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C21H20N2O5/c1-22(20(24)14-28-21(25)16-7-9-23(26)10-8-16)13-15-3-4-18-12-19(27-2)6-5-17(18)11-15/h3-12H,13-14H2,1-2H3