2-(3-nitrophenyl)-1,4-dihydroisoquinolin-2-ium-3-amine

Systemtic Name: 2-(3-nitrophenyl)-1,4-dihydroisoquinolin-2-ium-3-amine Openeye Name: 2-(3-nitrophenyl)-1,4-dihydroisoquinolin-2-ium-3-amine CAS Name: 2-(3-nitrophenyl)-1,4-dihydroisoquinolin-2-ium-3-amine IUPAC Name: 2-(3-nitrophenyl)-1,4-dihydroisoquinolin-2-ium-3-amine Traditional Name: [2-(3-nitrophenyl)-1,4-dihydroisoquinolin-2-ium-3-yl]amine Formula: C15H14N3O2+ MolecularWeight: 268.29056

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C[N+](=C1N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2C[N+](=C1N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O2/c16-15-8-11-4-1-2-5-12(11)10-17(15)13-6-3-7-14(9-13)18(19)20/h1-7,9,16H,8,10H2/p+1