4-[(5-azanyl-4-methyl-2-nitro-phenyl)amino]butan-2-yl-trimethyl-azanium; hydrogen sulfate

Systemtic Name: 4-[(5-azanyl-4-methyl-2-nitro-phenyl)amino]butan-2-yl-trimethyl-azanium; hydrogen sulfate Openeye Name: [3-(5-amino-4-methyl-2-nitro-anilino)-1-methyl-propyl]-trimethyl-ammonium; hydrogen sulfate CAS Name: 4-(5-amino-4-methyl-2-nitroanilino)butan-2-yl-trimethylammonium; hydrogen sulfate IUPAC Name: 4-(5-amino-4-methyl-2-nitroanilino)butan-2-yl-trimethylazanium; hydrogen sulfate Traditional Name: [3-(5-amino-4-methyl-2-nitro-anilino)-1-methyl-propyl]-trimethyl-ammonium bisulfate Formula: C14H26N4O6S MolecularWeight: 378.44444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25N4O2.H2O4S/c1-10-8-14(17(19)20)13(9-12(10)15)16-7-6-11(2)18(3,4)5;1-5(2,3)4/h8-9,11,16H,6-7,15H2,1-5H3;(H2,1,2,3,4)/q+1;/p-1