8-chloranyl-2-(4-ethylphenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide

Systemtic Name: 8-chloranyl-2-(4-ethylphenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-8-chloro-2-(4-ethylphenyl)quinoline-4-carboxamide CAS Name: 8-chloro-2-(4-ethylphenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-8-chloro-2-(4-ethylphenyl)quinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-8-chloro-2-(4-ethylphenyl)cinchoninamide Formula: C30H31ClN3O+ MolecularWeight: 485.03964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H30ClN3O/c1-2-21-11-13-23(14-12-21)28-19-26(25-9-6-10-27(31)29(25)33-28)30(35)32-24-15-17-34(18-16-24)20-22-7-4-3-5-8-22/h3-14,19,24H,2,15-18,20H2,1H3,(H,32,35)/p+1