ethyl 6-azanyl-2-methyl-4-oxidanyl-5-(phenylmethyl)pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-azanyl-2-methyl-4-oxidanyl-5-(phenylmethyl)pyridin-1-ium-3-carboxylate Openeye Name: ethyl 6-amino-5-benzyl-4-hydroxy-2-methyl-pyridin-1-ium-3-carboxylate CAS Name: 6-amino-4-hydroxy-2-methyl-5-(phenylmethyl)-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-benzyl-4-hydroxy-2-methylpyridin-1-ium-3-carboxylate Traditional Name: 6-amino-5-benzyl-4-hydroxy-2-methyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C16H19N2O3+ MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C([NH+]=C1C)N)CC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)C1=C(C(=C([NH+]=C1C)N)CC2=CC=CC=C2)O

InChI

InChI=1S/C16H18N2O3/c1-3-21-16(20)13-10(2)18-15(17)12(14(13)19)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H3,17,18,19)/p+1