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

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-propyl-ethanamide Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]-N-propyl-acetamide CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-propylacetamide IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]-N-propylacetamide Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]-N-propyl-acetamide Formula: C18H30N3O3+ MolecularWeight: 336.4491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3/c1-3-8-19-18(23)14-21-13-17(24-2)16(22)11-15(21)12-20-9-6-4-5-7-10-20/h11,13H,3-10,12,14H2,1-2H3,(H,19,23)/p+1