N-(2-chloranyl-4-nitro-phenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide chloride

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide chloride Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(2-chloro-4-nitro-phenyl)acetamide chloride CAS Name: N-(2-chloro-4-nitrophenyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]acetamide chloride IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(2-chloro-4-nitrophenyl)acetamide chloride Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(2-chloro-4-nitro-phenyl)acetamide chloride Formula: C20H17Cl2N3O3 MolecularWeight: 418.27328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl.[Cl-]

InChI

InChI=1S/C20H16ClN3O3.ClH/c21-18-13-17(24(26)27)6-7-19(18)22-20(25)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15;/h1-11,13H,12,14H2;1H