2-chloranyl-4-nitro-aniline; N-ethyl-N-[2-(4-methylpyridin-1-ium-1-yl)ethyl]aniline; chloride

Systemtic Name: 2-chloranyl-4-nitro-aniline; N-ethyl-N-[2-(4-methylpyridin-1-ium-1-yl)ethyl]aniline; chloride Openeye Name: 2-chloro-4-nitro-aniline; N-ethyl-N-[2-(4-methylpyridin-1-ium-1-yl)ethyl]aniline; chloride CAS Name: 2-chloro-4-nitroaniline; N-ethyl-N-[2-(4-methyl-1-pyridin-1-iumyl)ethyl]aniline; chloride IUPAC Name: 2-chloro-4-nitroaniline; N-ethyl-N-[2-(4-methylpyridin-1-ium-1-yl)ethyl]aniline; chloride Traditional Name: (2-chloro-4-nitro-phenyl)amine; ethyl-[2-(4-methylpyridin-1-ium-1-yl)ethyl]-phenyl-amine; chloride Formula: C22H26Cl2N4O2 MolecularWeight: 449.37344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N2.C6H5ClN2O2.ClH/c1-3-18(16-7-5-4-6-8-16)14-13-17-11-9-15(2)10-12-17;7-5-3-4(9(10)11)1-2-6(5)8;/h4-12H,3,13-14H2,1-2H3;1-3H,8H2;1H/q+1;;/p-1