methyl sulfate; trimethyl-[3-[(4-nitrophenyl)amino]propyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[3-[(4-nitrophenyl)amino]propyl]azanium Openeye Name: methyl sulfate; trimethyl-[3-(4-nitroanilino)propyl]ammonium CAS Name: methyl sulfate; trimethyl-[3-(4-nitroanilino)propyl]ammonium IUPAC Name: methyl sulfate; trimethyl-[3-(4-nitroanilino)propyl]azanium Traditional Name: methyl sulfate; trimethyl-[3-(4-nitroanilino)propyl]ammonium Formula: C13H23N3O6S MolecularWeight: 349.40322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCNC1=CC=C(C=C1)[N+](=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCCNC1=CC=C(C=C1)[N+](=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C12H20N3O2.CH4O4S/c1-15(2,3)10-4-9-13-11-5-7-12(8-6-11)14(16)17;1-5-6(2,3)4/h5-8,13H,4,9-10H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1