4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-N-methyl-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]aniline

Systemtic Name: 4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-N-methyl-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]aniline Openeye Name: 4-(2-chloro-4-nitro-phenyl)azo-N-methyl-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]aniline CAS Name: 4-(2-chloro-4-nitrophenyl)azo-N-methyl-N-[2-(1-methyl-4-pyridin-1-iumyl)ethyl]aniline IUPAC Name: 4-[(2-chloro-4-nitrophenyl)diazenyl]-N-methyl-N-[2-(1-methylpyridin-1-ium-4-yl)ethyl]aniline Traditional Name: [4-(2-chloro-4-nitro-phenyl)azophenyl]-methyl-[2-(1-methylpyridin-1-ium-4-yl)ethyl]amine Formula: C21H21ClN5O2+ MolecularWeight: 410.87674

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CCN(C)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C[N+]1=CC=C(C=C1)CCN(C)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN5O2/c1-25-12-9-16(10-13-25)11-14-26(2)18-5-3-17(4-6-18)23-24-21-8-7-19(27(28)29)15-20(21)22/h3-10,12-13,15H,11,14H2,1-2H3/q+1