[(3S)-1-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]carbonylpyrrolidin-3-yl]-dimethyl-azanium

Systemtic Name: [(3S)-1-[6-ethyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]carbonylpyrrolidin-3-yl]-dimethyl-azanium Openeye Name: [(3S)-1-[6-ethyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: [(3S)-1-[[6-ethyl-2-(1H-pyrazol-4-yl)-4-quinolinyl]-oxomethyl]-3-pyrrolidinyl]-dimethylammonium IUPAC Name: [(3S)-1-[6-ethyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]pyrrolidin-3-yl]-dimethylazanium Traditional Name: [(3S)-1-[6-ethyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]pyrrolidin-3-yl]-dimethyl-ammonium Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCC(C3)[NH+](C)C)C4=CNN=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CC[C@@H](C3)[NH+](C)C)C4=CNN=C4

InChI

InChI=1S/C21H25N5O/c1-4-14-5-6-19-17(9-14)18(10-20(24-19)15-11-22-23-12-15)21(27)26-8-7-16(13-26)25(2)3/h5-6,9-12,16H,4,7-8,13H2,1-3H3,(H,22,23)/p+1/t16-/m0/s1