methyl 4-(isoquinolin-2-ium-2-ylmethyl)benzoate

Systemtic Name: methyl 4-(isoquinolin-2-ium-2-ylmethyl)benzoate Openeye Name: methyl 4-(isoquinolin-2-ium-2-ylmethyl)benzoate CAS Name: 4-(2-isoquinolin-2-iumylmethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(isoquinolin-2-ium-2-ylmethyl)benzoate Traditional Name: 4-(isoquinolin-2-ium-2-ylmethyl)benzoic acid methyl ester Formula: C18H16NO2+ MolecularWeight: 278.32514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2

InChI

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