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

Systemtic Name: 7-chloranyl-2-(4-ethylphenyl)-8-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methyl-quinoline-4-carboxamide CAS Name: 7-chloro-2-(4-ethylphenyl)-8-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methyl-cinchoninamide Formula: C31H33ClN3O+ MolecularWeight: 499.06622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H32ClN3O/c1-3-22-9-11-24(12-10-22)29-19-27(26-13-14-28(32)21(2)30(26)34-29)31(36)33-25-15-17-35(18-16-25)20-23-7-5-4-6-8-23/h4-14,19,25H,3,15-18,20H2,1-2H3,(H,33,36)/p+1