methyl 4-(3-azanyl-1,4-dihydroisoquinolin-2-ium-2-yl)benzoate

Systemtic Name: methyl 4-(3-azanyl-1,4-dihydroisoquinolin-2-ium-2-yl)benzoate Openeye Name: methyl 4-(3-amino-1,4-dihydroisoquinolin-2-ium-2-yl)benzoate CAS Name: 4-(3-amino-1,4-dihydroisoquinolin-2-ium-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-amino-1,4-dihydroisoquinolin-2-ium-2-yl)benzoate Traditional Name: 4-(3-amino-1,4-dihydroisoquinolin-2-ium-2-yl)benzoic acid methyl ester Formula: C17H17N2O2+ MolecularWeight: 281.32908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)[N+]2=C(CC3=CC=CC=C3C2)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[N+]2=C(CC3=CC=CC=C3C2)N

InChI

InChI=1S/C17H16N2O2/c1-21-17(20)12-6-8-15(9-7-12)19-11-14-5-3-2-4-13(14)10-16(19)18/h2-9,18H,10-11H2,1H3/p+1