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

Systemtic Name: [2,2-dimethyl-3-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]propyl]-dimethyl-azanium Openeye Name: [2,2-dimethyl-3-(4-morpholinosulfonyl-2-nitro-anilino)propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[4-(4-morpholinylsulfonyl)-2-nitroanilino]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propyl]-dimethylazanium Traditional Name: [2,2-dimethyl-3-(4-morpholinosulfonyl-2-nitro-anilino)propyl]-dimethyl-ammonium Formula: C17H29N4O5S+ MolecularWeight: 401.50096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O5S/c1-17(2,13-19(3)4)12-18-15-6-5-14(11-16(15)21(22)23)27(24,25)20-7-9-26-10-8-20/h5-6,11,18H,7-10,12-13H2,1-4H3/p+1