2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethyl-dimethyl-(2-oxidanylpropyl)azanium

Systemtic Name: 2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethyl-dimethyl-(2-oxidanylpropyl)azanium Openeye Name: 2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl-(2-hydroxypropyl)-dimethyl-ammonium CAS Name: 2-[4-(2-chloro-4-nitrophenyl)azo-N-ethylanilino]ethyl-(2-hydroxypropyl)-dimethylammonium IUPAC Name: 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-(2-hydroxypropyl)-dimethylazanium Traditional Name: 2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl-(2-hydroxypropyl)-dimethyl-ammonium Formula: C21H29ClN5O3+ MolecularWeight: 434.93966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[N+](C)(C)CC(C)O)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCN(CC[N+](C)(C)CC(C)O)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H29ClN5O3/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22/h6-11,14,16,28H,5,12-13,15H2,1-4H3/q+1