trimethyl-[(2R)-2-[[4-(octoxycarbonylamino)phenyl]sulfonylamino]-4-oxidanyl-4-oxidanylidene-butyl]azanium

Systemtic Name: trimethyl-[(2R)-2-[[4-(octoxycarbonylamino)phenyl]sulfonylamino]-4-oxidanyl-4-oxidanylidene-butyl]azanium Openeye Name: [(2R)-4-hydroxy-2-[[4-(octoxycarbonylamino)phenyl]sulfonylamino]-4-oxo-butyl]-trimethyl-ammonium CAS Name: [(2R)-4-hydroxy-2-[[4-[[octoxy(oxo)methyl]amino]phenyl]sulfonylamino]-4-oxobutyl]-trimethylammonium IUPAC Name: [(2R)-4-hydroxy-2-[[4-(octoxycarbonylamino)phenyl]sulfonylamino]-4-oxobutyl]-trimethylazanium Traditional Name: [(2R)-4-hydroxy-4-keto-2-[[4-(octoxycarbonylamino)phenyl]sulfonylamino]butyl]-trimethyl-ammonium Formula: C22H38N3O6S+ MolecularWeight: 472.61862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C[N+](C)(C)C

Isomeric SMILES

CCCCCCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC(=O)O)C[N+](C)(C)C

InChI

InChI=1S/C22H37N3O6S/c1-5-6-7-8-9-10-15-31-22(28)23-18-11-13-20(14-12-18)32(29,30)24-19(16-21(26)27)17-25(2,3)4/h11-14,19,24H,5-10,15-17H2,1-4H3,(H-,23,26,27,28)/p+1/t19-/m1/s1