4-oxidanylidene-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-3H-phthalazine-1-carboxamide Formula: C21H23N4O2+ MolecularWeight: 363.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H22N4O2/c26-20-18-6-2-1-5-17(18)19(23-24-20)21(27)22-13-15-7-9-16(10-8-15)14-25-11-3-4-12-25/h1-2,5-10H,3-4,11-14H2,(H,22,27)(H,24,26)/p+1