N-[1-[[4-[1-(tert-butylcarbamoyl)piperidin-1-ium-1-yl]-1-oxidanyl-butyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-4-phenyl-quinoline-2-carboxamide

Systemtic Name: N-[1-[[4-[1-(tert-butylcarbamoyl)piperidin-1-ium-1-yl]-1-oxidanyl-butyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]-4-phenyl-quinoline-2-carboxamide Openeye Name: N-[2-[[4-[1-(tert-butylcarbamoyl)piperidin-1-ium-1-yl]-1-hydroxy-butyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]-4-phenyl-quinoline-2-carboxamide CAS Name: N-[1-[[4-[1-[(tert-butylamino)-oxomethyl]-1-piperidin-1-iumyl]-1-hydroxybutyl]amino]-3-mercapto-1-oxopropan-2-yl]-4-phenyl-2-quinolinecarboxamide IUPAC Name: N-[1-[[4-[1-(tert-butylcarbamoyl)piperidin-1-ium-1-yl]-1-hydroxybutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]-4-phenylquinoline-2-carboxamide Traditional Name: N-[2-[[4-[1-(tert-butylcarbamoyl)piperidin-1-ium-1-yl]-1-hydroxy-butyl]amino]-2-keto-1-(mercaptomethyl)ethyl]-4-phenyl-quinaldamide Formula: C33H44N5O4S+ MolecularWeight: 606.79856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)[N+]1(CCCCC1)CCCC(NC(=O)C(CS)NC(=O)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)NC(=O)[N+]1(CCCCC1)CCCC(NC(=O)C(CS)NC(=O)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4)O

InChI

InChI=1S/C33H43N5O4S/c1-33(2,3)37-32(42)38(18-10-5-11-19-38)20-12-17-29(39)36-31(41)28(22-43)35-30(40)27-21-25(23-13-6-4-7-14-23)24-15-8-9-16-26(24)34-27/h4,6-9,13-16,21,28-29,39H,5,10-12,17-20,22H2,1-3H3,(H3-,35,36,37,40,41,42,43)/p+1