[azaniumylidene-(6-bromanyl-2-methyl-quinolin-4-yl)methyl]-phenyl-azanium dichloride

Systemtic Name: [azaniumylidene-(6-bromanyl-2-methyl-quinolin-4-yl)methyl]-phenyl-azanium dichloride Openeye Name: [azaniumylidene-(6-bromo-2-methyl-4-quinolyl)methyl]-phenyl-ammonium dichloride CAS Name: [(6-bromo-2-methyl-4-quinolinyl)-iminiomethyl]-phenylammonium dichloride IUPAC Name: [azaniumylidene-(6-bromo-2-methylquinolin-4-yl)methyl]-phenylazanium dichloride Traditional Name: [(6-bromo-2-methyl-4-quinolyl)-iminio-methyl]-phenyl-ammonium dichloride Formula: C17H16BrCl2N3 MolecularWeight: 413.13904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C(=C1)C(=[NH2+])[NH2+]C3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Br)C(=C1)C(=[NH2+])[NH2+]C3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C17H14BrN3.2ClH/c1-11-9-15(14-10-12(18)7-8-16(14)20-11)17(19)21-13-5-3-2-4-6-13;;/h2-10H,1H3,(H2,19,21);2*1H