3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanidyl-1-oxidanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium-2-one

Systemtic Name: 3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanidyl-1-oxidanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium-2-one Openeye Name: 1-hydroxy-4-oxido-3-[2-oxo-2-(p-tolyl)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium-2-one CAS Name: 1-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-4-oxido-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium-2-one IUPAC Name: 1-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-4-oxido-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium-2-one Traditional Name: 1-hydroxy-3-[2-keto-2-(p-tolyl)ethyl]-4-oxido-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium-2-one Formula: C18H20N2O4 MolecularWeight: 328.3624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC2=[N+](C3=C(CCCCC3)N(C2=O)O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC2=[N+](C3=C(CCCCC3)N(C2=O)O)[O-]

InChI

InChI=1S/C18H20N2O4/c1-12-7-9-13(10-8-12)17(21)11-16-18(22)20(24)15-6-4-2-3-5-14(15)19(16)23/h7-10,24H,2-6,11H2,1H3