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

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(2-ethoxyphenyl)ethanamide Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]-N-(2-ethoxyphenyl)acetamide CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]-N-(2-ethoxyphenyl)acetamide Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]-N-o-phenetyl-acetamide Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCCCCC3)OC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCCCCC3)OC

InChI

InChI=1S/C23H31N3O4/c1-3-30-21-11-7-6-10-19(21)24-23(28)17-26-16-22(29-2)20(27)14-18(26)15-25-12-8-4-5-9-13-25/h6-7,10-11,14,16H,3-5,8-9,12-13,15,17H2,1-2H3,(H,24,28)/p+1