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

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(4-ethylphenyl)ethanamide Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]-N-(4-ethylphenyl)acetamide CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]-N-(4-ethylphenyl)acetamide Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]-N-(4-ethylphenyl)acetamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCCCCC3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCCCCC3)OC

InChI

InChI=1S/C23H31N3O3/c1-3-18-8-10-19(11-9-18)24-23(28)17-26-16-22(29-2)21(27)14-20(26)15-25-12-6-4-5-7-13-25/h8-11,14,16H,3-7,12-13,15,17H2,1-2H3,(H,24,28)/p+1