(3-azanyl-2-methyl-5-oxidanylidene-2-benzazepin-2-ium-4-yl)-(1-oxidanylethylidene)azanium

Systemtic Name: (3-azanyl-2-methyl-5-oxidanylidene-2-benzazepin-2-ium-4-yl)-(1-oxidanylethylidene)azanium Openeye Name: (3-amino-2-methyl-5-oxo-2-benzazepin-2-ium-4-yl)-(1-hydroxyethylidene)ammonium CAS Name: (3-amino-2-methyl-5-oxo-2-benzazepin-2-ium-4-yl)-(1-hydroxyethylidene)ammonium IUPAC Name: (3-amino-2-methyl-5-oxo-2-benzazepin-2-ium-4-yl)-(1-hydroxyethylidene)azanium Traditional Name: (3-amino-5-keto-2-methyl-2-benzazepin-2-ium-4-yl)-(1-hydroxyethylidene)ammonium Formula: C13H15N3O2+2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]C1=C([N+](=CC2=CC=CC=C2C1=O)C)N)O

Isomeric SMILES

CC(=[NH+]C1=C([N+](=CC2=CC=CC=C2C1=O)C)N)O

InChI

InChI=1S/C13H13N3O2/c1-8(17)15-11-12(18)10-6-4-3-5-9(10)7-16(2)13(11)14/h3-7,14,18H,1-2H3/p+2