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

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxidanylidene-pyridazin-1-yl]propanamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxo-pyridazin-1-yl]propanamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-3-[3-(4-chlorophenyl)-6-oxo-1-pyridazinyl]propanamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-[3-(4-chlorophenyl)-6-keto-pyridazin-1-yl]propionamide Formula: C22H30ClN4O2+ MolecularWeight: 417.9522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H29ClN4O2/c23-19-8-6-18(7-9-19)20-10-11-22(29)27(25-20)17-12-21(28)24-13-5-16-26-14-3-1-2-4-15-26/h6-11H,1-5,12-17H2,(H,24,28)/p+1