2-(2,5-dimethylphenyl)-3-methyl-N-(1-methylpiperidin-1-ium-4-yl)quinoline-4-carboxamide

Systemtic Name: 2-(2,5-dimethylphenyl)-3-methyl-N-(1-methylpiperidin-1-ium-4-yl)quinoline-4-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)-3-methyl-N-(1-methylpiperidin-1-ium-4-yl)quinoline-4-carboxamide CAS Name: 2-(2,5-dimethylphenyl)-3-methyl-N-(1-methyl-4-piperidin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)-3-methyl-N-(1-methylpiperidin-1-ium-4-yl)quinoline-4-carboxamide Traditional Name: 2-(2,5-dimethylphenyl)-3-methyl-N-(1-methylpiperidin-1-ium-4-yl)cinchoninamide Formula: C25H30N3O+ MolecularWeight: 388.5252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2C)C(=O)NC4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2C)C(=O)NC4CC[NH+](CC4)C

InChI

InChI=1S/C25H29N3O/c1-16-9-10-17(2)21(15-16)24-18(3)23(20-7-5-6-8-22(20)27-24)25(29)26-19-11-13-28(4)14-12-19/h5-10,15,19H,11-14H2,1-4H3,(H,26,29)/p+1