2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-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)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O4S/c1-21(2)12-10-20-28(26,27)17-7-8-18(19(13-17)23(24)25)22-11-9-15-5-3-4-6-16(15)14-22/h3-8,13,20H,9-12,14H2,1-2H3/p+1