methyl 2-(phenylmethyl)isoquinolin-2-ium-3-carboxylate

Systemtic Name: methyl 2-(phenylmethyl)isoquinolin-2-ium-3-carboxylate Openeye Name: methyl 2-benzylisoquinolin-2-ium-3-carboxylate CAS Name: 2-(phenylmethyl)-3-isoquinolin-2-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-benzylisoquinolin-2-ium-3-carboxylate Traditional Name: 2-benzylisoquinolin-2-ium-3-carboxylic acid methyl ester Formula: C18H16NO2+ MolecularWeight: 278.32514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C=[N+]1CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C=[N+]1CC3=CC=CC=C3

InChI

InChI=1S/C18H16NO2/c1-21-18(20)17-11-15-9-5-6-10-16(15)13-19(17)12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3/q+1