dimethyl-[(3S)-1-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]carbonylpyrrolidin-3-yl]azanium

Systemtic Name: dimethyl-[(3S)-1-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]carbonylpyrrolidin-3-yl]azanium Openeye Name: [(3S)-1-[2-(1-isopropylpyrazol-4-yl)quinoline-4-carbonyl]pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: dimethyl-[(3S)-1-[oxo-[2-(1-propan-2-yl-4-pyrazolyl)-4-quinolinyl]methyl]-3-pyrrolidinyl]ammonium IUPAC Name: dimethyl-[(3S)-1-[2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]pyrrolidin-3-yl]azanium Traditional Name: [(3S)-1-[2-(1-isopropylpyrazol-4-yl)quinoline-4-carbonyl]pyrrolidin-3-yl]-dimethyl-ammonium Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCC(C4)[NH+](C)C

Isomeric SMILES

CC(C)N1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[C@@H](C4)[NH+](C)C

InChI

InChI=1S/C22H27N5O/c1-15(2)27-13-16(12-23-27)21-11-19(18-7-5-6-8-20(18)24-21)22(28)26-10-9-17(14-26)25(3)4/h5-8,11-13,15,17H,9-10,14H2,1-4H3/p+1/t17-/m0/s1