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

Systemtic Name: 4-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate Openeye Name: 4-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneammonio)butanoate CAS Name: 4-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneammonio)butanoate IUPAC Name: 4-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneazaniumyl)butanoate Traditional Name: 4-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneammonio)butyrate Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2/c17-14(18)9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)16-13/h1-2,5,7H,3-4,6,8-10H2,(H,15,16)(H,17,18)