2-(3-nitrophenyl)spiro[1H-isoquinolin-2-ium-4,4'-oxane]-3-amine

Systemtic Name: 2-(3-nitrophenyl)spiro[1H-isoquinolin-2-ium-4,4'-oxane]-3-amine Openeye Name: 2-(3-nitrophenyl)spiro[1H-isoquinolin-2-ium-4,4'-tetrahydropyran]-3-amine CAS Name: 2-(3-nitrophenyl)-3-spiro[1H-isoquinolin-2-ium-4,4'-oxane]amine IUPAC Name: 2-(3-nitrophenyl)spiro[1H-isoquinolin-2-ium-4,4'-oxane]-3-amine Traditional Name: [2-(3-nitrophenyl)spiro[1H-isoquinolin-2-ium-4,4'-tetrahydropyran]-3-yl]amine Formula: C19H20N3O3+ MolecularWeight: 338.3804

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC12C3=CC=CC=C3C[N+](=C2N)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCC12C3=CC=CC=C3C[N+](=C2N)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O3/c20-18-19(8-10-25-11-9-19)17-7-2-1-4-14(17)13-21(18)15-5-3-6-16(12-15)22(23)24/h1-7,12,20H,8-11,13H2/p+1