3-(azepan-1-ylcarbonyl)-2-[(3-fluorophenyl)methyl]-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-4-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-2-[(3-fluorophenyl)methyl]-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-4-one Openeye Name: 3-(azepane-1-carbonyl)-2-[(3-fluorophenyl)methyl]-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-4-one CAS Name: 3-[1-azepanyl(oxo)methyl]-2-[(3-fluorophenyl)methyl]-6-methyl-1-[3-(4-morpholin-4-iumyl)propyl]-4-pyridinone IUPAC Name: 3-(azepane-1-carbonyl)-2-[(3-fluorophenyl)methyl]-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)pyridin-4-one Traditional Name: 3-(azepane-1-carbonyl)-2-(3-fluorobenzyl)-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-4-pyridone Formula: C27H37FN3O3+ MolecularWeight: 470.599383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CCC[NH+]2CCOCC2)CC3=CC(=CC=C3)F)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCC[NH+]2CCOCC2)CC3=CC(=CC=C3)F)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H36FN3O3/c1-21-18-25(32)26(27(33)30-11-4-2-3-5-12-30)24(20-22-8-6-9-23(28)19-22)31(21)13-7-10-29-14-16-34-17-15-29/h6,8-9,18-19H,2-5,7,10-17,20H2,1H3/p+1