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

Systemtic Name: [(1R)-1-(furan-2-yl)-2-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(2-furyl)-2-[2-nitro-4-(1-piperidylsulfonyl)anilino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(2-furanyl)-2-[2-nitro-4-(1-piperidinylsulfonyl)anilino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(furan-2-yl)-2-(2-nitro-4-piperidin-1-ylsulfonylanilino)ethyl]-dimethylazanium Traditional Name: [(1R)-1-(2-furyl)-2-(2-nitro-4-piperidinosulfonyl-anilino)ethyl]-dimethyl-ammonium Formula: C19H27N4O5S+ MolecularWeight: 423.50648

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C19H26N4O5S/c1-21(2)18(19-7-6-12-28-19)14-20-16-9-8-15(13-17(16)23(24)25)29(26,27)22-10-4-3-5-11-22/h6-9,12-13,18,20H,3-5,10-11,14H2,1-2H3/p+1/t18-/m1/s1