6-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 6-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 6-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carboxamide CAS Name: 6-methyl-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-1-(2-nitrophenyl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: 6-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide Traditional Name: 4-keto-6-methyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-(2-nitrophenyl)pyridazine-3-carboxamide Formula: C21H28N5O4+ MolecularWeight: 414.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O4/c1-15-8-5-6-12-24(15)13-7-11-22-21(28)20-19(27)14-16(2)25(23-20)17-9-3-4-10-18(17)26(29)30/h3-4,9-10,14-15H,5-8,11-13H2,1-2H3,(H,22,28)/p+1/t15-/m0/s1