N-[3-bromanyl-5-(4-methylphenyl)pyridin-2-yl]-4-methyl-N-pyridin-1-ium-1-yl-benzamide chloride

Systemtic Name: N-[3-bromanyl-5-(4-methylphenyl)pyridin-2-yl]-4-methyl-N-pyridin-1-ium-1-yl-benzamide chloride Openeye Name: N-[3-bromo-5-(p-tolyl)-2-pyridyl]-4-methyl-N-pyridin-1-ium-1-yl-benzamide chloride CAS Name: N-[3-bromo-5-(4-methylphenyl)-2-pyridinyl]-4-methyl-N-(1-pyridin-1-iumyl)benzamide chloride IUPAC Name: N-[3-bromo-5-(4-methylphenyl)pyridin-2-yl]-4-methyl-N-pyridin-1-ium-1-ylbenzamide chloride Traditional Name: N-[3-bromo-5-(p-tolyl)-2-pyridyl]-4-methyl-N-pyridin-1-ium-1-yl-benzamide chloride Formula: C25H21BrClN3O MolecularWeight: 494.81074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(N=C2)N(C(=O)C3=CC=C(C=C3)C)[N+]4=CC=CC=C4)Br.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(N=C2)N(C(=O)C3=CC=C(C=C3)C)[N+]4=CC=CC=C4)Br.[Cl-]

InChI

InChI=1S/C25H21BrN3O.ClH/c1-18-6-10-20(11-7-18)22-16-23(26)24(27-17-22)29(28-14-4-3-5-15-28)25(30)21-12-8-19(2)9-13-21;/h3-17H,1-2H3;1H/q+1;/p-1