6-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneazaniumyl)hexanoate

Systemtic Name: 6-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneazaniumyl)hexanoate Openeye Name: 6-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneammonio)hexanoate CAS Name: 6-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneammonio)hexanoate IUPAC Name: 6-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneazaniumyl)hexanoate Traditional Name: 6-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneammonio)hexanoate Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2/c19-16(20)11-2-1-5-12-17-15-10-6-8-13-7-3-4-9-14(13)18-15/h3-4,7,9H,1-2,5-6,8,10-12H2,(H,17,18)(H,19,20)