N-[2-(azepan-1-ium-1-yl)ethyl]-2-[6-(4-methoxyphenyl)-3-oxidanylidene-1,4-dihydropyridazin-2-yl]ethanamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[6-(4-methoxyphenyl)-3-oxidanylidene-1,4-dihydropyridazin-2-yl]ethanamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[3-keto-6-(4-methoxyphenyl)-1,4-dihydropyridazin-2-yl]acetamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CCC(=O)N(N2)CC(=O)NCC[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CCC(=O)N(N2)CC(=O)NCC[NH+]3CCCCCC3

InChI

InChI=1S/C21H30N4O3/c1-28-18-8-6-17(7-9-18)19-10-11-21(27)25(23-19)16-20(26)22-12-15-24-13-4-2-3-5-14-24/h6-10,23H,2-5,11-16H2,1H3,(H,22,26)/p+1