2-[[4-[(4-methoxyphenyl)methyl-methyl-amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[(4-methoxyphenyl)methyl-methyl-amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[(4-methoxyphenyl)methyl-methyl-amino]-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-[(4-methoxyphenyl)methyl-methylamino]-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[(4-methoxyphenyl)methyl-methylamino]-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[[4-[methyl(p-anisyl)amino]-3-nitro-phenyl]sulfonylamino]ethyl]ammonium Formula: C19H27N4O5S+ MolecularWeight: 423.50648

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O5S/c1-21(2)12-11-20-29(26,27)17-9-10-18(19(13-17)23(24)25)22(3)14-15-5-7-16(28-4)8-6-15/h5-10,13,20H,11-12,14H2,1-4H3/p+1