[(1R)-1-(furan-2-yl)-2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(furan-2-yl)-2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(2-furyl)-2-[[3-nitro-4-(1-piperidyl)benzoyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(2-furanyl)-2-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(furan-2-yl)-2-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(2-furyl)-2-[(3-nitro-4-piperidino-benzoyl)amino]ethyl]-dimethyl-ammonium Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4/c1-22(2)18(19-7-6-12-28-19)14-21-20(25)15-8-9-16(17(13-15)24(26)27)23-10-4-3-5-11-23/h6-9,12-13,18H,3-5,10-11,14H2,1-2H3,(H,21,25)/p+1/t18-/m1/s1