2-[4-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-pyridazin-1-yl]-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]ethanamide

Systemtic Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-pyridazin-1-yl]-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]ethanamide Openeye Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)-6-oxo-pyridazin-1-yl]-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]acetamide CAS Name: 2-[4-(4-methyl-1-piperazin-4-iumyl)-6-oxo-1-pyridazinyl]-N-[(1S)-1-(1-methyl-4-pyrazolyl)propyl]acetamide IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)-6-oxopyridazin-1-yl]-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]acetamide Traditional Name: 2-[6-keto-4-(4-methylpiperazin-4-ium-1-yl)pyridazin-1-yl]-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]acetamide Formula: C18H28N7O2+ MolecularWeight: 374.46062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN(N=C1)C)NC(=O)CN2C(=O)C=C(C=N2)N3CC[NH+](CC3)C

Isomeric SMILES

CC[C@@H](C1=CN(N=C1)C)NC(=O)CN2C(=O)C=C(C=N2)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H27N7O2/c1-4-16(14-10-19-23(3)12-14)21-17(26)13-25-18(27)9-15(11-20-25)24-7-5-22(2)6-8-24/h9-12,16H,4-8,13H2,1-3H3,(H,21,26)/p+1/t16-/m0/s1