6-bromanyl-2-(3-ethoxyphenyl)-N-(1-ethylpiperidin-1-ium-4-yl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(3-ethoxyphenyl)-N-(1-ethylpiperidin-1-ium-4-yl)quinoline-4-carboxamide Openeye Name: 6-bromo-2-(3-ethoxyphenyl)-N-(1-ethylpiperidin-1-ium-4-yl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(3-ethoxyphenyl)-N-(1-ethyl-4-piperidin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(3-ethoxyphenyl)-N-(1-ethylpiperidin-1-ium-4-yl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(1-ethylpiperidin-1-ium-4-yl)-2-m-phenetyl-cinchoninamide Formula: C25H29BrN3O2+ MolecularWeight: 483.42066

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)OCC

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)OCC

InChI

InChI=1S/C25H28BrN3O2/c1-3-29-12-10-19(11-13-29)27-25(30)22-16-24(17-6-5-7-20(14-17)31-4-2)28-23-9-8-18(26)15-21(22)23/h5-9,14-16,19H,3-4,10-13H2,1-2H3,(H,27,30)/p+1