[2-[(6-methoxynaphthalen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(6-methoxynaphthalen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-[(6-methoxy-2-naphthyl)methyl-methyl-amino]-2-oxo-ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-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] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-keto-2-[(6-methoxy-2-naphthyl)methyl-methyl-amino]ethyl] ester Formula: C21H22N3O4+ MolecularWeight: 380.41708

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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=C([NH+]=CC=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-24(19(25)13-28-21(26)18-4-3-9-23-20(18)22)12-14-5-6-16-11-17(27-2)8-7-15(16)10-14/h3-11H,12-13H2,1-2H3,(H2,22,23)/p+1