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

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-2-phenyl-cinchoninamide Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CC(=O)N

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CC(=O)N

InChI

InChI=1S/C23H24N4O2/c24-22(28)15-27-12-10-17(11-13-27)25-23(29)19-14-21(16-6-2-1-3-7-16)26-20-9-5-4-8-18(19)20/h1-9,14,17H,10-13,15H2,(H2,24,28)(H,25,29)/p+1