5-oxidanylidene-1-[(phenylmethyl)azaniumyl]hex-3-en-3-olate

Systemtic Name: 5-oxidanylidene-1-[(phenylmethyl)azaniumyl]hex-3-en-3-olate Openeye Name: 1-(benzylammonio)-5-oxo-hex-3-en-3-olate CAS Name: 5-oxo-1-[(phenylmethyl)ammonio]-3-hexen-3-olate IUPAC Name: 1-(benzylazaniumyl)-5-oxohex-3-en-3-olate Traditional Name: 1-(benzylammonio)-5-keto-hex-3-en-3-olate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=C(CC[NH2+]CC1=CC=CC=C1)[O-]

Isomeric SMILES

CC(=O)C=C(CC[NH2+]CC1=CC=CC=C1)[O-]

InChI

InChI=1S/C13H17NO2/c1-11(15)9-13(16)7-8-14-10-12-5-3-2-4-6-12/h2-6,9,14,16H,7-8,10H2,1H3