6-chloranyl-2-(2,4-dimethylphenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-2-(2,4-dimethylphenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-chloro-2-(2,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: 6-chloro-2-(2,4-dimethylphenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-chloro-2-(2,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-chloro-2-(2,4-dimethylphenyl)cinchoninamide Formula: C30H31ClN3O+ MolecularWeight: 485.03964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5)C

InChI

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