[2,2-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]propyl]-dimethyl-azanium Openeye Name: [2,2-dimethyl-3-[2-nitro-4-(1-piperidylsulfonyl)anilino]propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[2-nitro-4-(1-piperidinylsulfonyl)anilino]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-(2-nitro-4-piperidin-1-ylsulfonylanilino)propyl]-dimethylazanium Traditional Name: [2,2-dimethyl-3-(2-nitro-4-piperidinosulfonyl-anilino)propyl]-dimethyl-ammonium Formula: C18H31N4O4S+ MolecularWeight: 399.52814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O4S/c1-18(2,14-20(3)4)13-19-16-9-8-15(12-17(16)22(23)24)27(25,26)21-10-6-5-7-11-21/h8-9,12,19H,5-7,10-11,13-14H2,1-4H3/p+1