4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline hydroxide

Systemtic Name: 4-[(2-chloranyl-4-nitro-phenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline hydroxide Openeye Name: 4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline hydroxide CAS Name: 4-(2-chloro-4-nitrophenyl)azo-N-ethyl-N-[2-(1-pyridin-1-iumyl)ethyl]aniline hydroxide IUPAC Name: 4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-N-(2-pyridin-1-ium-1-ylethyl)aniline hydroxide Traditional Name: [4-(2-chloro-4-nitro-phenyl)azophenyl]-ethyl-(2-pyridin-1-ium-1-ylethyl)amine hydroxide Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN5O2.H2O/c1-2-26(15-14-25-12-4-3-5-13-25)18-8-6-17(7-9-18)23-24-21-11-10-19(27(28)29)16-20(21)22;/h3-13,16H,2,14-15H2,1H3;1H2/q+1;/p-1