N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-cyclopropyl-quinoline-4-carboxamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2-cyclopropyl-4-quinolinecarboxamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-cyclopropylquinoline-4-carboxamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-2-cyclopropyl-cinchoninamide Formula: C25H27ClN3O+ MolecularWeight: 420.95438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC[NH+](CC4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H26ClN3O/c26-19-9-5-17(6-10-19)16-29-13-11-20(12-14-29)27-25(30)22-15-24(18-7-8-18)28-23-4-2-1-3-21(22)23/h1-6,9-10,15,18,20H,7-8,11-14,16H2,(H,27,30)/p+1