2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(4-chlorophenyl)ethanamide

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(4-chlorophenyl)ethanamide Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]-N-(4-chlorophenyl)acetamide CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-chlorophenyl)acetamide IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]-N-(4-chlorophenyl)acetamide Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]-N-(4-chlorophenyl)acetamide Formula: C21H27ClN3O3+ MolecularWeight: 404.91038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)C[NH+]2CCCCCC2)CC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCCCCC2)CC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O3/c1-28-20-14-25(15-21(27)23-17-8-6-16(22)7-9-17)18(12-19(20)26)13-24-10-4-2-3-5-11-24/h6-9,12,14H,2-5,10-11,13,15H2,1H3,(H,23,27)/p+1