N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(3R)-1-indan-2-ylpiperidin-1-ium-3-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(3R)-1-indan-2-ylpiperidin-1-ium-3-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1C[C@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C23H24N4O2/c28-22-20-10-4-3-9-19(20)21(25-26-22)23(29)24-17-8-5-11-27(14-17)18-12-15-6-1-2-7-16(15)13-18/h1-4,6-7,9-10,17-18H,5,8,11-14H2,(H,24,29)(H,26,28)/p+1/t17-/m1/s1