N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-2-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-2-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2-cyclopropyl-quinoline-4-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-2-cyclopropyl-4-quinolinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-2-cyclopropylquinoline-4-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-2-cyclopropyl-cinchoninamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2/c21-19(25)12-24-9-7-14(8-10-24)22-20(26)16-11-18(13-5-6-13)23-17-4-2-1-3-15(16)17/h1-4,11,13-14H,5-10,12H2,(H2,21,25)(H,22,26)/p+1