N-[4-[1-(tert-butylcarbamoyl)-1-oxidanyl-piperidin-1-ium-4-yl]-1-phenyl-butyl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[4-[1-(tert-butylcarbamoyl)-1-oxidanyl-piperidin-1-ium-4-yl]-1-phenyl-butyl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[4-[1-(tert-butylcarbamoyl)-1-hydroxy-piperidin-1-ium-4-yl]-1-phenyl-butyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[4-[1-[(tert-butylamino)-oxomethyl]-1-hydroxy-4-piperidin-1-iumyl]-1-phenylbutyl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[4-[1-(tert-butylcarbamoyl)-1-hydroxypiperidin-1-ium-4-yl]-1-phenylbutyl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[4-[1-(tert-butylcarbamoyl)-1-hydroxy-piperidin-1-ium-4-yl]-1-phenyl-butyl]-2-(quinaldoylamino)succinamide Formula: C34H45N6O5+ MolecularWeight: 617.7583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)[N+]1(CCC(CC1)CCCC(C2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC(C)(C)NC(=O)[N+]1(CCC(CC1)CCCC(C2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C34H44N6O5/c1-34(2,3)39-33(44)40(45)20-18-23(19-21-40)10-9-15-27(24-11-5-4-6-12-24)37-32(43)29(22-30(35)41)38-31(42)28-17-16-25-13-7-8-14-26(25)36-28/h4-8,11-14,16-17,23,27,29,45H,9-10,15,18-22H2,1-3H3,(H4-,35,37,38,39,41,42,43,44)/p+1