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

Systemtic Name: 7-chloranyl-8-methyl-2-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-7-chloro-8-methyl-2-phenyl-quinoline-4-carboxamide CAS Name: 7-chloro-8-methyl-2-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-7-chloro-8-methyl-2-phenylquinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-7-chloro-8-methyl-2-phenyl-cinchoninamide Formula: C29H29ClN3O+ MolecularWeight: 471.01306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(C=C2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(C=C2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C29H28ClN3O/c1-20-26(30)13-12-24-25(18-27(32-28(20)24)22-10-6-3-7-11-22)29(34)31-23-14-16-33(17-15-23)19-21-8-4-2-5-9-21/h2-13,18,23H,14-17,19H2,1H3,(H,31,34)/p+1