[5-[4-[(4-chlorophenyl)methyl]-4-[4-oxidanyl-3,4-bis(oxidanylidene)butanoyl]piperidin-1-yl]sulfonylnaphthalen-1-yl]-dimethyl-azanium

Systemtic Name: [5-[4-[(4-chlorophenyl)methyl]-4-[4-oxidanyl-3,4-bis(oxidanylidene)butanoyl]piperidin-1-yl]sulfonylnaphthalen-1-yl]-dimethyl-azanium Openeye Name: [5-[[4-[(4-chlorophenyl)methyl]-4-(4-hydroxy-3,4-dioxo-butanoyl)-1-piperidyl]sulfonyl]-1-naphthyl]-dimethyl-ammonium CAS Name: [5-[[4-[(4-chlorophenyl)methyl]-4-(4-hydroxy-1,3,4-trioxobutyl)-1-piperidinyl]sulfonyl]-1-naphthalenyl]-dimethylammonium IUPAC Name: [5-[4-[(4-chlorophenyl)methyl]-4-(4-hydroxy-3,4-dioxobutanoyl)piperidin-1-yl]sulfonylnaphthalen-1-yl]-dimethylazanium Traditional Name: [5-[4-(4-chlorobenzyl)-4-oxalaceto-piperidino]sulfonyl-1-naphthyl]-dimethyl-ammonium Formula: C28H30ClN2O6S+ MolecularWeight: 558.0656

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCC(CC3)(CC4=CC=C(C=C4)Cl)C(=O)CC(=O)C(=O)O

Isomeric SMILES

C[NH+](C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCC(CC3)(CC4=CC=C(C=C4)Cl)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C28H29ClN2O6S/c1-30(2)23-7-3-6-22-21(23)5-4-8-25(22)38(36,37)31-15-13-28(14-16-31,26(33)17-24(32)27(34)35)18-19-9-11-20(29)12-10-19/h3-12H,13-18H2,1-2H3,(H,34,35)/p+1