1-(6-fluoranyl-4-methyl-quinazolin-2-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-2-yl-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(6-fluoranyl-4-methyl-quinazolin-2-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-2-yl-ethyl]piperidine-4-carboxamide Openeye Name: 1-(6-fluoro-4-methyl-quinazolin-2-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-pyridyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(6-fluoro-4-methyl-2-quinazolinyl)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-(2-pyridinyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(6-fluoro-4-methylquinazolin-2-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-pyridin-2-ylethyl]piperidine-4-carboxamide Traditional Name: 1-(6-fluoro-4-methyl-quinazolin-2-yl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-pyridyl)ethyl]isonipecotamide Formula: C26H32FN6O2+ MolecularWeight: 479.569683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC(CC3)C(=O)NCC(C4=CC=CC=N4)[NH+]5CCOCC5

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC(CC3)C(=O)NC[C@@H](C4=CC=CC=N4)[NH+]5CCOCC5

InChI

InChI=1S/C26H31FN6O2/c1-18-21-16-20(27)5-6-22(21)31-26(30-18)33-10-7-19(8-11-33)25(34)29-17-24(23-4-2-3-9-28-23)32-12-14-35-15-13-32/h2-6,9,16,19,24H,7-8,10-15,17H2,1H3,(H,29,34)/p+1/t24-/m0/s1