2-[1-[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]ethylamino]ethyl-trimethyl-azanium

Systemtic Name: 2-[1-[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-3-methyl-phenyl]ethylamino]ethyl-trimethyl-azanium Openeye Name: 2-[1-[4-(2-chloro-4-nitro-phenyl)azo-3-methyl-phenyl]ethylamino]ethyl-trimethyl-ammonium CAS Name: 2-[1-[4-(2-chloro-4-nitrophenyl)azo-3-methylphenyl]ethylamino]ethyl-trimethylammonium IUPAC Name: 2-[1-[4-[(2-chloro-4-nitrophenyl)diazenyl]-3-methylphenyl]ethylamino]ethyl-trimethylazanium Traditional Name: 2-[1-[4-(2-chloro-4-nitro-phenyl)azo-3-methyl-phenyl]ethylamino]ethyl-trimethyl-ammonium Formula: C20H27ClN5O2+ MolecularWeight: 404.91368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)NCC[N+](C)(C)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)NCC[N+](C)(C)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H27ClN5O2/c1-14-12-16(15(2)22-10-11-26(3,4)5)6-8-19(14)23-24-20-9-7-17(25(27)28)13-18(20)21/h6-9,12-13,15,22H,10-11H2,1-5H3/q+1