2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-5-[(2-oxidanidylisoquinolin-2-ium-3-yl)methyl]imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-5-[(2-oxidanidylisoquinolin-2-ium-3-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-[(3R)-3-amino-1-piperidyl]-3-but-2-ynyl-5-[(2-oxidoisoquinolin-2-ium-3-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-[(3R)-3-amino-1-piperidinyl]-3-but-2-ynyl-5-[(2-oxido-3-isoquinolin-2-iumyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5-[(2-oxidoisoquinolin-2-ium-3-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-[(3R)-3-aminopiperidino]-3-but-2-ynyl-5-[(2-oxidoisoquinolin-2-ium-3-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C24H25N7O2 MolecularWeight: 443.501

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=CC=CC=C4C=[N+]3[O-])N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC4=CC=CC=C4C=[N+]3[O-])N=C1N5CCC[C@H](C5)N

InChI

InChI=1S/C24H25N7O2/c1-2-3-11-29-22-21(27-24(29)28-10-6-9-19(25)15-28)13-26-30(23(22)32)16-20-12-17-7-4-5-8-18(17)14-31(20)33/h4-5,7-8,12-14,19H,6,9-11,15-16,25H2,1H3/t19-/m1/s1