2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethyl-dimethyl-(phenylmethyl)azanium; methyl sulfate

Systemtic Name: 2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethyl-dimethyl-(phenylmethyl)azanium; methyl sulfate Openeye Name: benzyl-[2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl]-dimethyl-ammonium; methyl sulfate CAS Name: 2-[4-(2-chloro-4-nitrophenyl)azo-N-ethylanilino]ethyl-dimethyl-(phenylmethyl)ammonium; methyl sulfate IUPAC Name: benzyl-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl]-dimethylazanium; methyl sulfate Traditional Name: benzyl-[2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl]-dimethyl-ammonium; methyl sulfate Formula: C26H32ClN5O6S MolecularWeight: 578.08018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[N+](C)(C)CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl.COS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC[N+](C)(C)CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl.COS(=O)(=O)[O-]

InChI

InChI=1S/C25H29ClN5O2.CH4O4S/c1-4-29(16-17-31(2,3)19-20-8-6-5-7-9-20)22-12-10-21(11-13-22)27-28-25-15-14-23(30(32)33)18-24(25)26;1-5-6(2,3)4/h5-15,18H,4,16-17,19H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1