N-[1-[1-[2-(cyclohexylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[1-[1-[2-(cyclohexylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]quinoline-2-carboxamide Openeye Name: N-[1-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxo-ethyl]pyrrolidin-1-ium-1-carbonyl]-2-methyl-propyl]quinoline-2-carboxamide CAS Name: N-[1-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]-1-pyrrolidin-1-iumyl]-3-methyl-1-oxobutan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[1-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-ium-1-yl]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide Traditional Name: N-[1-[1-[2-(cyclohexylamino)-1-hydroxy-2-keto-ethyl]pyrrolidin-1-ium-1-carbonyl]-2-methyl-propyl]quinaldamide Formula: C27H37N4O4+ MolecularWeight: 481.60708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[N+]1(CCCC1)C(C(=O)NC2CCCCC2)O)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)C(C(=O)[N+]1(CCCC1)C(C(=O)NC2CCCCC2)O)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H36N4O4/c1-18(2)23(30-24(32)22-15-14-19-10-6-7-13-21(19)29-22)26(34)31(16-8-9-17-31)27(35)25(33)28-20-11-4-3-5-12-20/h6-7,10,13-15,18,20,23,27,35H,3-5,8-9,11-12,16-17H2,1-2H3,(H-,28,30,32,33)/p+1