dimethyl-[[4-[[(4-methylsulfonyl-2-nitro-phenyl)amino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[[(4-methylsulfonyl-2-nitro-phenyl)amino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[(4-methylsulfonyl-2-nitro-anilino)methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[(4-methylsulfonyl-2-nitroanilino)methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[(4-methylsulfonyl-2-nitroanilino)methyl]phenyl]methyl]azanium Traditional Name: [4-[(4-mesyl-2-nitro-anilino)methyl]benzyl]-dimethyl-ammonium Formula: C17H22N3O4S+ MolecularWeight: 364.43928

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-19(2)12-14-6-4-13(5-7-14)11-18-16-9-8-15(25(3,23)24)10-17(16)20(21)22/h4-10,18H,11-12H2,1-3H3/p+1