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

Systemtic Name: 2-[(3-fluorophenyl)methyl]-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[(3-fluorophenyl)methyl]-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-N-(3-pyridylmethyl)pyridine-3-carboxamide CAS Name: 2-[(3-fluorophenyl)methyl]-6-methyl-1-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-N-(3-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[(3-fluorophenyl)methyl]-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-(3-fluorobenzyl)-4-keto-6-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-N-(3-pyridylmethyl)nicotinamide Formula: C27H32FN4O3+ MolecularWeight: 479.566383

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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)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCC[NH+]2CCOCC2)CC3=CC(=CC=C3)F)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C27H31FN4O3/c1-20-15-25(33)26(27(34)30-19-22-6-3-8-29-18-22)24(17-21-5-2-7-23(28)16-21)32(20)10-4-9-31-11-13-35-14-12-31/h2-3,5-8,15-16,18H,4,9-14,17,19H2,1H3,(H,30,34)/p+1