2-[[4-(2,3-dihydro-1H-inden-5-ylamino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylamino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(indan-5-ylamino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylamino)-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylamino)-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-(indan-5-ylamino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(CCC3)C=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(CCC3)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-22(2)11-10-20-28(26,27)17-8-9-18(19(13-17)23(24)25)21-16-7-6-14-4-3-5-15(14)12-16/h6-9,12-13,20-21H,3-5,10-11H2,1-2H3/p+1