2-[(3-fluorophenyl)methyl]-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

Systemtic Name: 2-[(3-fluorophenyl)methyl]-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide Openeye Name: 2-[(3-fluorophenyl)methyl]-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide CAS Name: 2-[(3-fluorophenyl)methyl]-6-methyl-1-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-N-[2-(2-pyridinyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3-fluorophenyl)methyl]-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide Traditional Name: 2-(3-fluorobenzyl)-4-keto-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-N-[2-(2-pyridyl)ethyl]nicotinamide Formula: C28H34FN4O3+ MolecularWeight: 493.592963

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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)NCCC4=CC=CC=N4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCC[NH+]2CCOCC2)CC3=CC(=CC=C3)F)C(=O)NCCC4=CC=CC=N4

InChI

InChI=1S/C28H33FN4O3/c1-21-18-26(34)27(28(35)31-11-9-24-8-2-3-10-30-24)25(20-22-6-4-7-23(29)19-22)33(21)13-5-12-32-14-16-36-17-15-32/h2-4,6-8,10,18-19H,5,9,11-17,20H2,1H3,(H,31,35)/p+1