[(Z)-3-oxidanyl-5-oxidanylidene-hex-3-enyl]-(phenylmethyl)azanium

Systemtic Name: [(Z)-3-oxidanyl-5-oxidanylidene-hex-3-enyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(Z)-3-hydroxy-5-oxo-hex-3-enyl]ammonium CAS Name: [(Z)-3-hydroxy-5-oxohex-3-enyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(Z)-3-hydroxy-5-oxohex-3-enyl]azanium Traditional Name: benzyl-[(Z)-3-hydroxy-5-keto-hex-3-enyl]ammonium Formula: C13H18NO2+ MolecularWeight: 220.28752

Click to see the large picture

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/p+1/b13-9-