N-ethyl-N-methyl-2-[1-(1-methylpiperidin-1-ium-4-yl)pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: N-ethyl-N-methyl-2-[1-(1-methylpiperidin-1-ium-4-yl)pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-ethyl-N-methyl-2-[1-(1-methylpiperidin-1-ium-4-yl)pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-ethyl-N-methyl-2-[1-(1-methyl-4-piperidin-1-iumyl)-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-ethyl-N-methyl-2-[1-(1-methylpiperidin-1-ium-4-yl)pyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-ethyl-N-methyl-2-[1-(1-methylpiperidin-1-ium-4-yl)pyrazol-4-yl]cinchoninamide Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CN(N=C3)C4CC[NH+](CC4)C

Isomeric SMILES

CCN(C)C(=O)C1=CC(=NC2=CC=CC=C21)C3=CN(N=C3)C4CC[NH+](CC4)C

InChI

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