2-[[4-(2-adamantylamino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(2-adamantylamino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(2-adamantylamino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(2-adamantylamino)-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(2-adamantylamino)-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-(2-adamantylamino)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)NC2C3CC4CC(C3)CC2C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)NC2C3CC4CC(C3)CC2C4)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O4S/c1-23(2)6-5-21-29(27,28)17-3-4-18(19(12-17)24(25)26)22-20-15-8-13-7-14(10-15)11-16(20)9-13/h3-4,12-16,20-22H,5-11H2,1-2H3/p+1