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

Systemtic Name: [(1R)-1-(furan-2-yl)-2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(2-furyl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(2-furanyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(furan-2-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)ethyl]-dimethylazanium Traditional Name: [(1R)-1-(2-furyl)-2-(2-nitro-4-pyrrolidinosulfonyl-anilino)ethyl]-dimethyl-ammonium Formula: C18H25N4O5S+ MolecularWeight: 409.4799

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C18H24N4O5S/c1-20(2)17(18-6-5-11-27-18)13-19-15-8-7-14(12-16(15)22(23)24)28(25,26)21-9-3-4-10-21/h5-8,11-12,17,19H,3-4,9-10,13H2,1-2H3/p+1/t17-/m1/s1