6,8-dimethyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: 6,8-dimethyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: 6,8-dimethyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: 6,8-dimethyl-N-[(3S)-1-methyl-3-piperidin-1-iumyl]-2-(1H-pyrazol-4-yl)-4-quinolinecarboxamide IUPAC Name: 6,8-dimethyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(1H-pyrazol-4-yl)quinoline-4-carboxamide Traditional Name: 6,8-dimethyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]-2-(1H-pyrazol-4-yl)cinchoninamide Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CNN=C3)C(=O)NC4CCC[NH+](C4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CNN=C3)C(=O)N[C@H]4CCC[NH+](C4)C)C

InChI

InChI=1S/C21H25N5O/c1-13-7-14(2)20-17(8-13)18(9-19(25-20)15-10-22-23-11-15)21(27)24-16-5-4-6-26(3)12-16/h7-11,16H,4-6,12H2,1-3H3,(H,22,23)(H,24,27)/p+1/t16-/m0/s1