2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]-N-(3-methoxyphenyl)acetamide Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCCCCC3)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCCCCC3)OC

InChI

InChI=1S/C22H29N3O4/c1-28-19-9-7-8-17(12-19)23-22(27)16-25-15-21(29-2)20(26)13-18(25)14-24-10-5-3-4-6-11-24/h7-9,12-13,15H,3-6,10-11,14,16H2,1-2H3,(H,23,27)/p+1