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

Systemtic Name: 4-[[5-(dimethylamino)-2-nitro-phenyl]amino]butan-2-yl-trimethyl-azanium; hydrogen sulfate Openeye Name: [3-[5-(dimethylamino)-2-nitro-anilino]-1-methyl-propyl]-trimethyl-ammonium; hydrogen sulfate CAS Name: 4-[5-(dimethylamino)-2-nitroanilino]butan-2-yl-trimethylammonium; hydrogen sulfate IUPAC Name: 4-[5-(dimethylamino)-2-nitroanilino]butan-2-yl-trimethylazanium; hydrogen sulfate Traditional Name: [3-[5-(dimethylamino)-2-nitro-anilino]-1-methyl-propyl]-trimethyl-ammonium bisulfate Formula: C15H28N4O6S MolecularWeight: 392.47102

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=C(C=CC(=C1)N(C)C)[N+](=O)[O-])[N+](C)(C)C.OS(=O)(=O)[O-]

Isomeric SMILES

CC(CCNC1=C(C=CC(=C1)N(C)C)[N+](=O)[O-])[N+](C)(C)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C15H27N4O2.H2O4S/c1-12(19(4,5)6)9-10-16-14-11-13(17(2)3)7-8-15(14)18(20)21;1-5(2,3)4/h7-8,11-12,16H,9-10H2,1-6H3;(H2,1,2,3,4)/q+1;/p-1