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

Systemtic Name: N-[3-bromanyl-5-(4-methoxyphenyl)pyridin-2-yl]-4-methyl-N-pyridin-1-ium-1-yl-benzamide chloride Openeye Name: N-[3-bromo-5-(4-methoxyphenyl)-2-pyridyl]-4-methyl-N-pyridin-1-ium-1-yl-benzamide chloride CAS Name: N-[3-bromo-5-(4-methoxyphenyl)-2-pyridinyl]-4-methyl-N-(1-pyridin-1-iumyl)benzamide chloride IUPAC Name: N-[3-bromo-5-(4-methoxyphenyl)pyridin-2-yl]-4-methyl-N-pyridin-1-ium-1-ylbenzamide chloride Traditional Name: N-[3-bromo-5-(4-methoxyphenyl)-2-pyridyl]-4-methyl-N-pyridin-1-ium-1-yl-benzamide chloride Formula: C25H21BrClN3O2 MolecularWeight: 510.81014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(C2=C(C=C(C=N2)C3=CC=C(C=C3)OC)Br)[N+]4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(C2=C(C=C(C=N2)C3=CC=C(C=C3)OC)Br)[N+]4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C25H21BrN3O2.ClH/c1-18-6-8-20(9-7-18)25(30)29(28-14-4-3-5-15-28)24-23(26)16-21(17-27-24)19-10-12-22(31-2)13-11-19;/h3-17H,1-2H3;1H/q+1;/p-1