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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)C[NH+]2CCCCCC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCCCCC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3/c1-29-22-17-26(18-23(28)24-12-11-19-9-5-4-6-10-19)20(15-21(22)27)16-25-13-7-2-3-8-14-25/h4-6,9-10,15,17H,2-3,7-8,11-14,16,18H2,1H3,(H,24,28)/p+1