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

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]-N-(3,5-dimethylphenyl)acetamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCCCCC3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCCCCC3)OC)C

InChI

InChI=1S/C23H31N3O3/c1-17-10-18(2)12-19(11-17)24-23(28)16-26-15-22(29-3)21(27)13-20(26)14-25-8-6-4-5-7-9-25/h10-13,15H,4-9,14,16H2,1-3H3,(H,24,28)/p+1