methyl 4-(3-azanylidene-1,4-dihydroisoquinolin-2-yl)benzoate hydrobromide

Systemtic Name: methyl 4-(3-azanylidene-1,4-dihydroisoquinolin-2-yl)benzoate hydrobromide Openeye Name: methyl 4-(3-imino-1,4-dihydroisoquinolin-2-yl)benzoate hydrobromide CAS Name: 4-(3-imino-1,4-dihydroisoquinolin-2-yl)benzoic acid methyl ester hydrobromide IUPAC Name: methyl 4-(3-imino-1,4-dihydroisoquinolin-2-yl)benzoate hydrobromide Traditional Name: 4-(3-imino-1,4-dihydroisoquinolin-2-yl)benzoic acid methyl ester hydrobromide Formula: C17H17BrN2O2 MolecularWeight: 361.23308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3CC2=N.Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3CC2=N.Br

InChI

InChI=1S/C17H16N2O2.BrH/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;1H