N,N,8-trimethyl-2-[1-(1-methylpiperidin-1-ium-4-yl)pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: N,N,8-trimethyl-2-[1-(1-methylpiperidin-1-ium-4-yl)pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N,N,8-trimethyl-2-[1-(1-methylpiperidin-1-ium-4-yl)pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N,N,8-trimethyl-2-[1-(1-methyl-4-piperidin-1-iumyl)-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N,N,8-trimethyl-2-[1-(1-methylpiperidin-1-ium-4-yl)pyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N,N,8-trimethyl-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:

CC1=CC=CC2=C1N=C(C=C2C(=O)N(C)C)C3=CN(N=C3)C4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)N(C)C)C3=CN(N=C3)C4CC[NH+](CC4)C

InChI

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