furan-2-ylmethyl-[4-(4-methylphenyl)-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]azanium chloride

Systemtic Name: furan-2-ylmethyl-[4-(4-methylphenyl)-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]azanium chloride Openeye Name: [1-carboxy-3-oxo-3-(p-tolyl)propyl]-(2-furylmethyl)ammonium chloride CAS Name: 2-furanylmethyl-[1-hydroxy-4-(4-methylphenyl)-1,4-dioxobutan-2-yl]ammonium chloride IUPAC Name: furan-2-ylmethyl-[1-hydroxy-4-(4-methylphenyl)-1,4-dioxobutan-2-yl]azanium chloride Traditional Name: [1-carboxy-3-keto-3-(p-tolyl)propyl]-(2-furfuryl)ammonium chloride Formula: C16H18ClNO4 MolecularWeight: 323.77142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)[NH2+]CC2=CC=CO2.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C(=O)O)[NH2+]CC2=CC=CO2.[Cl-]

InChI

InChI=1S/C16H17NO4.ClH/c1-11-4-6-12(7-5-11)15(18)9-14(16(19)20)17-10-13-3-2-8-21-13;/h2-8,14,17H,9-10H2,1H3,(H,19,20);1H