N-[3-(azepan-1-ium-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxidanylidene-pyridazin-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxidanylidene-pyridazin-1-yl]ethanamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-pyridazin-1-yl]acetamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-2-[3-(4-chlorophenyl)-6-oxo-1-pyridazinyl]acetamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-[3-(4-chlorophenyl)-6-keto-pyridazin-1-yl]acetamide Formula: C21H28ClN4O2+ MolecularWeight: 403.92562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)CN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN4O2/c22-18-8-6-17(7-9-18)19-10-11-21(28)26(24-19)16-20(27)23-12-5-15-25-13-3-1-2-4-14-25/h6-11H,1-5,12-16H2,(H,23,27)/p+1