[(1R)-1-(furan-2-yl)-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(furan-2-yl)-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(2-furyl)-2-(4-morpholinosulfonyl-2-nitro-anilino)ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(2-furanyl)-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(furan-2-yl)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)ethyl]-dimethylazanium Traditional Name: [(1R)-1-(2-furyl)-2-(4-morpholinosulfonyl-2-nitro-anilino)ethyl]-dimethyl-ammonium Formula: C18H25N4O6S+ MolecularWeight: 425.4793

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C18H24N4O6S/c1-20(2)17(18-4-3-9-28-18)13-19-15-6-5-14(12-16(15)22(23)24)29(25,26)21-7-10-27-11-8-21/h3-6,9,12,17,19H,7-8,10-11,13H2,1-2H3/p+1/t17-/m1/s1