N-[2-(azepan-1-ium-1-yl)ethyl]-3-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)propanamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-(6-oxidanylidene-3-phenyl-pyridazin-1-yl)propanamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-(6-oxo-3-phenyl-pyridazin-1-yl)propanamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-3-(6-oxo-3-phenyl-1-pyridazinyl)propanamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-3-(6-keto-3-phenyl-pyridazin-1-yl)propionamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2/c26-20(22-13-17-24-14-6-1-2-7-15-24)12-16-25-21(27)11-10-19(23-25)18-8-4-3-5-9-18/h3-5,8-11H,1-2,6-7,12-17H2,(H,22,26)/p+1