2-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneazaniumyl)ethanoate

Systemtic Name: 2-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneazaniumyl)ethanoate Openeye Name: 2-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneammonio)acetate CAS Name: 2-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneammonio)acetate IUPAC Name: 2-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneazaniumyl)acetate Traditional Name: 2-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneammonio)acetate Formula: C12H14N2O2 MolecularWeight: 218.25176

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=[NH+]CC(=O)[O-])C1

Isomeric SMILES

C1CC2=CC=CC=C2NC(=[NH+]CC(=O)[O-])C1

InChI

InChI=1S/C12H14N2O2/c15-12(16)8-13-11-7-3-5-9-4-1-2-6-10(9)14-11/h1-2,4,6H,3,5,7-8H2,(H,13,14)(H,15,16)