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

Systemtic Name: 2-[(3R)-3-azanylpiperidin-1-yl]-3-but-2-ynyl-5-[(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-[(3R)-3-amino-1-piperidyl]-3-but-2-ynyl-5-[(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-[(3R)-3-amino-1-piperidinyl]-3-but-2-ynyl-5-[(1-oxido-4-oxo-2-quinoxalin-4-iumyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5-[(1-oxido-4-oxoquinoxalin-4-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-[(3R)-3-aminopiperidino]-3-but-2-ynyl-5-[(4-keto-1-oxido-quinoxalin-4-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C23H24N8O3 MolecularWeight: 460.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=C[N+](=O)C4=CC=CC=C4N3[O-])N=C1N5CCCC(C5)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=C[N+](=O)C4=CC=CC=C4N3[O-])N=C1N5CCC[C@H](C5)N

InChI

InChI=1S/C23H24N8O3/c1-2-3-11-28-21-18(26-23(28)27-10-6-7-16(24)13-27)12-25-29(22(21)32)14-17-15-30(33)19-8-4-5-9-20(19)31(17)34/h4-5,8-9,12,15-16H,6-7,10-11,13-14,24H2,1H3/t16-/m1/s1