4-oxidanylidene-N-[(3R)-1-phenethylpiperidin-1-ium-3-yl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(3R)-1-phenethylpiperidin-1-ium-3-yl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[(3R)-1-phenethylpiperidin-1-ium-3-yl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[(3R)-1-phenethyl-3-piperidin-1-iumyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[(3R)-1-phenethylpiperidin-1-ium-3-yl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(3R)-1-phenethylpiperidin-1-ium-3-yl]-3H-phthalazine-1-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1C[C@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H24N4O2/c27-21-19-11-5-4-10-18(19)20(24-25-21)22(28)23-17-9-6-13-26(15-17)14-12-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,23,28)(H,25,27)/p+1/t17-/m1/s1