2-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-oxidanylidene-pyridazin-1-yl]-N-[(1S)-1-pyridin-2-ylpropyl]ethanamide

Systemtic Name: 2-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-oxidanylidene-pyridazin-1-yl]-N-[(1S)-1-pyridin-2-ylpropyl]ethanamide Openeye Name: 2-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-oxo-pyridazin-1-yl]-N-[(1S)-1-(2-pyridyl)propyl]acetamide CAS Name: 2-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-oxo-1-pyridazinyl]-N-[(1S)-1-(2-pyridinyl)propyl]acetamide IUPAC Name: 2-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-6-oxopyridazin-1-yl]-N-[(1S)-1-pyridin-2-ylpropyl]acetamide Traditional Name: 2-[6-keto-4-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-1-yl]-N-[(1S)-1-(2-pyridyl)propyl]acetamide Formula: C20H29N6O2+ MolecularWeight: 385.48326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=N1)NC(=O)CN2C(=O)C=C(C=N2)N3CCC[NH+](CC3)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=N1)NC(=O)CN2C(=O)C=C(C=N2)N3CCC[NH+](CC3)C

InChI

InChI=1S/C20H28N6O2/c1-3-17(18-7-4-5-8-21-18)23-19(27)15-26-20(28)13-16(14-22-26)25-10-6-9-24(2)11-12-25/h4-5,7-8,13-14,17H,3,6,9-12,15H2,1-2H3,(H,23,27)/p+1/t17-/m0/s1