3-[2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]amino]-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C22H23ClN4O3 MolecularWeight: 426.89602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-])CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-])CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN4O3/c23-16-7-5-15(6-8-16)13-26-11-9-17(10-12-26)24-20(28)14-27-22(30)19-4-2-1-3-18(19)21(29)25-27/h1-8,17H,9-14H2,(H,24,28)(H,25,29)