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

Systemtic Name: 2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethyl-(2-hydroxyethyl)-dimethyl-azanium Openeye Name: 2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl-(2-hydroxyethyl)-dimethyl-ammonium CAS Name: 2-[4-(2-chloro-4-nitrophenyl)azo-N-ethylanilino]ethyl-(2-hydroxyethyl)-dimethylammonium IUPAC Name: 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl-(2-hydroxyethyl)-dimethylazanium Traditional Name: 2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl-(2-hydroxyethyl)-dimethyl-ammonium Formula: C20H27ClN5O3+ MolecularWeight: 420.91308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN5O3/c1-4-24(11-12-26(2,3)13-14-27)17-7-5-16(6-8-17)22-23-20-10-9-18(25(28)29)15-19(20)21/h5-10,15,27H,4,11-14H2,1-3H3/q+1