4-oxidanylidene-3-[2-oxidanylidene-2-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-[2-oxo-2-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-[2-oxo-2-[[2-(1-piperidin-1-iumylmethyl)phenyl]methylamino]ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-[2-oxo-2-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[[2-(piperidin-1-ium-1-ylmethyl)benzyl]amino]ethyl]phthalazine-1-carboxamide Formula: C24H28N5O3+ MolecularWeight: 434.51082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C24H27N5O3/c25-23(31)22-19-10-4-5-11-20(19)24(32)29(27-22)16-21(30)26-14-17-8-2-3-9-18(17)15-28-12-6-1-7-13-28/h2-5,8-11H,1,6-7,12-16H2,(H2,25,31)(H,26,30)/p+1