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

Systemtic Name: N-[3-bromanyl-5-(4-ethanoylphenyl)pyrazin-2-yl]-4-methyl-N-pyridin-1-ium-1-yl-benzamide chloride Openeye Name: N-[5-(4-acetylphenyl)-3-bromo-pyrazin-2-yl]-4-methyl-N-pyridin-1-ium-1-yl-benzamide chloride CAS Name: N-[5-(4-acetylphenyl)-3-bromo-2-pyrazinyl]-4-methyl-N-(1-pyridin-1-iumyl)benzamide chloride IUPAC Name: N-[5-(4-acetylphenyl)-3-bromopyrazin-2-yl]-4-methyl-N-pyridin-1-ium-1-ylbenzamide chloride Traditional Name: N-[5-(4-acetylphenyl)-3-bromo-pyrazin-2-yl]-4-methyl-N-pyridin-1-ium-1-yl-benzamide chloride Formula: C25H20BrClN4O2 MolecularWeight: 523.8089

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(C2=NC=C(N=C2Br)C3=CC=C(C=C3)C(=O)C)[N+]4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(C2=NC=C(N=C2Br)C3=CC=C(C=C3)C(=O)C)[N+]4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C25H20BrN4O2.ClH/c1-17-6-8-21(9-7-17)25(32)30(29-14-4-3-5-15-29)24-23(26)28-22(16-27-24)20-12-10-19(11-13-20)18(2)31;/h3-16H,1-2H3;1H/q+1;/p-1