N-(1-methylpiperidin-1-ium-4-yl)-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(1-methylpiperidin-1-ium-4-yl)-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: 2-(3-isopropoxyphenyl)-N-(1-methylpiperidin-1-ium-4-yl)quinoline-4-carboxamide CAS Name: N-(1-methyl-4-piperidin-1-iumyl)-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1-methylpiperidin-1-ium-4-yl)-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: 2-(3-isopropoxyphenyl)-N-(1-methylpiperidin-1-ium-4-yl)cinchoninamide Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC[NH+](CC4)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC[NH+](CC4)C

InChI

InChI=1S/C25H29N3O2/c1-17(2)30-20-8-6-7-18(15-20)24-16-22(21-9-4-5-10-23(21)27-24)25(29)26-19-11-13-28(3)14-12-19/h4-10,15-17,19H,11-14H2,1-3H3,(H,26,29)/p+1