N-(5-chloranyl-2-nitro-phenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-nitro-phenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(5-chloro-2-nitro-phenyl)acetamide CAS Name: N-(5-chloro-2-nitrophenyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(5-chloro-2-nitrophenyl)acetamide Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(5-chloro-2-nitro-phenyl)acetamide Formula: C20H17ClN3O3+ MolecularWeight: 382.82028

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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=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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