3-[(5-azanyl-4-methyl-2-nitro-phenyl)amino]propyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 3-[(5-azanyl-4-methyl-2-nitro-phenyl)amino]propyl-trimethyl-azanium; methyl sulfate Openeye Name: 3-(5-amino-4-methyl-2-nitro-anilino)propyl-trimethyl-ammonium; methyl sulfate CAS Name: 3-(5-amino-4-methyl-2-nitroanilino)propyl-trimethylammonium; methyl sulfate IUPAC Name: 3-(5-amino-4-methyl-2-nitroanilino)propyl-trimethylazanium; methyl sulfate Traditional Name: 3-(5-amino-4-methyl-2-nitro-anilino)propyl-trimethyl-ammonium; methyl sulfate Formula: C14H26N4O6S MolecularWeight: 378.44444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)NCCC[N+](C)(C)C)[N+](=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1N)NCCC[N+](C)(C)C)[N+](=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C13H23N4O2.CH4O4S/c1-10-8-13(16(18)19)12(9-11(10)14)15-6-5-7-17(2,3)4;1-5-6(2,3)4/h8-9,15H,5-7,14H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1