diethyl-[(3S)-1-[6-fluoranyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]carbonylpyrrolidin-3-yl]azanium

Systemtic Name: diethyl-[(3S)-1-[6-fluoranyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]carbonylpyrrolidin-3-yl]azanium Openeye Name: diethyl-[(3S)-1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]pyrrolidin-3-yl]ammonium CAS Name: diethyl-[(3S)-1-[[6-fluoro-2-(1-methyl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]-3-pyrrolidinyl]ammonium IUPAC Name: diethyl-[(3S)-1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]pyrrolidin-3-yl]azanium Traditional Name: diethyl-[(3S)-1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]pyrrolidin-3-yl]ammonium Formula: C22H27FN5O+ MolecularWeight: 396.481083

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CCN(C1)C(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CN(N=C4)C

Isomeric SMILES

CC[NH+](CC)[C@H]1CCN(C1)C(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CN(N=C4)C

InChI

InChI=1S/C22H26FN5O/c1-4-27(5-2)17-8-9-28(14-17)22(29)19-11-21(15-12-24-26(3)13-15)25-20-7-6-16(23)10-18(19)20/h6-7,10-13,17H,4-5,8-9,14H2,1-3H3/p+1/t17-/m0/s1