[1-(6-fluoranyl-4-methyl-quinazolin-2-yl)piperidin-4-yl]-[(1S)-1-phenyl-2-pyrazol-1-yl-ethyl]azanium

Systemtic Name: [1-(6-fluoranyl-4-methyl-quinazolin-2-yl)piperidin-4-yl]-[(1S)-1-phenyl-2-pyrazol-1-yl-ethyl]azanium Openeye Name: [1-(6-fluoro-4-methyl-quinazolin-2-yl)-4-piperidyl]-[(1S)-1-phenyl-2-pyrazol-1-yl-ethyl]ammonium CAS Name: [1-(6-fluoro-4-methyl-2-quinazolinyl)-4-piperidinyl]-[(1S)-1-phenyl-2-(1-pyrazolyl)ethyl]ammonium IUPAC Name: [1-(6-fluoro-4-methylquinazolin-2-yl)piperidin-4-yl]-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]azanium Traditional Name: [1-(6-fluoro-4-methyl-quinazolin-2-yl)-4-piperidyl]-[(1S)-1-phenyl-2-pyrazol-1-yl-ethyl]ammonium Formula: C25H28FN6+ MolecularWeight: 431.528423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC(CC3)[NH2+]C(CN4C=CC=N4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC2=C1C=C(C=C2)F)N3CCC(CC3)[NH2+][C@H](CN4C=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C25H27FN6/c1-18-22-16-20(26)8-9-23(22)30-25(28-18)31-14-10-21(11-15-31)29-24(17-32-13-5-12-27-32)19-6-3-2-4-7-19/h2-9,12-13,16,21,24,29H,10-11,14-15,17H2,1H3/p+1/t24-/m1/s1