1-methyl-1-(phenylmethyl)-2,3,4,5-tetrahydroazepin-1-ium-6-olate

Systemtic Name: 1-methyl-1-(phenylmethyl)-2,3,4,5-tetrahydroazepin-1-ium-6-olate Openeye Name: 1-benzyl-1-methyl-2,3,4,5-tetrahydroazepin-1-ium-6-olate CAS Name: 1-methyl-1-(phenylmethyl)-2,3,4,5-tetrahydroazepin-1-ium-6-olate IUPAC Name: 1-benzyl-1-methyl-2,3,4,5-tetrahydroazepin-1-ium-6-olate Traditional Name: 1-benzyl-1-methyl-2,3,4,5-tetrahydroazepin-1-ium-6-olate Formula: C14H19NO MolecularWeight: 217.30676

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC(=C1)[O-])CC2=CC=CC=C2

Isomeric SMILES

C[N+]1(CCCCC(=C1)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C14H19NO/c1-15(10-6-5-9-14(16)12-15)11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3