7-chloranyl-2-(3-ethoxyphenyl)-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)quinoline-4-carboxamide

Systemtic Name: 7-chloranyl-2-(3-ethoxyphenyl)-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)quinoline-4-carboxamide Openeye Name: 7-chloro-2-(3-ethoxyphenyl)-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)quinoline-4-carboxamide CAS Name: 7-chloro-2-(3-ethoxyphenyl)-8-methyl-N-(1-methyl-4-piperidin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: 7-chloro-2-(3-ethoxyphenyl)-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)quinoline-4-carboxamide Traditional Name: 7-chloro-8-methyl-N-(1-methylpiperidin-1-ium-4-yl)-2-m-phenetyl-cinchoninamide Formula: C25H29ClN3O2+ MolecularWeight: 438.96966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4CC[NH+](CC4)C

InChI

InChI=1S/C25H28ClN3O2/c1-4-31-19-7-5-6-17(14-19)23-15-21(20-8-9-22(26)16(2)24(20)28-23)25(30)27-18-10-12-29(3)13-11-18/h5-9,14-15,18H,4,10-13H2,1-3H3,(H,27,30)/p+1