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

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-4-keto-N-methyl-3H-phthalazine-1-carboxamide Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C24H26N4O2/c1-27(24(30)22-20-10-4-5-11-21(20)23(29)26-25-22)18-9-6-12-28(15-18)19-13-16-7-2-3-8-17(16)14-19/h2-5,7-8,10-11,18-19H,6,9,12-15H2,1H3,(H,26,29)/p+1/t18-/m0/s1