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

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]-N-tert-butyl-acetamide CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-tert-butylacetamide IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]-N-tert-butylacetamide Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]-N-tert-butyl-acetamide Formula: C19H32N3O3+ MolecularWeight: 350.47568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1C=C(C(=O)C=C1C[NH+]2CCCCCC2)OC

Isomeric SMILES

CC(C)(C)NC(=O)CN1C=C(C(=O)C=C1C[NH+]2CCCCCC2)OC

InChI

InChI=1S/C19H31N3O3/c1-19(2,3)20-18(24)14-22-13-17(25-4)16(23)11-15(22)12-21-9-7-5-6-8-10-21/h11,13H,5-10,12,14H2,1-4H3,(H,20,24)/p+1