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

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]-N-(3,4-dimethoxyphenyl)acetamide Formula: C23H32N3O5+ MolecularWeight: 430.51728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5/c1-29-20-9-8-17(12-21(20)30-2)24-23(28)16-26-15-22(31-3)19(27)13-18(26)14-25-10-6-4-5-7-11-25/h8-9,12-13,15H,4-7,10-11,14,16H2,1-3H3,(H,24,28)/p+1