N-(4-bromanyl-3-methyl-phenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(4-bromo-3-methyl-phenyl)acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(4-bromo-3-methylphenyl)acetamide Traditional Name: 2-(4-benzylpyridin-1-ium-1-yl)-N-(4-bromo-3-methyl-phenyl)acetamide Formula: C21H20BrN2O+ MolecularWeight: 396.3003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C21H19BrN2O/c1-16-13-19(7-8-20(16)22)23-21(25)15-24-11-9-18(10-12-24)14-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3/p+1