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

Systemtic Name: N-(3-bromanyl-5-phenyl-pyrazin-2-yl)-4-methyl-N-pyridin-1-ium-1-yl-benzamide chloride Openeye Name: N-(3-bromo-5-phenyl-pyrazin-2-yl)-4-methyl-N-pyridin-1-ium-1-yl-benzamide chloride CAS Name: N-(3-bromo-5-phenyl-2-pyrazinyl)-4-methyl-N-(1-pyridin-1-iumyl)benzamide chloride IUPAC Name: N-(3-bromo-5-phenylpyrazin-2-yl)-4-methyl-N-pyridin-1-ium-1-ylbenzamide chloride Traditional Name: N-(3-bromo-5-phenyl-pyrazin-2-yl)-4-methyl-N-pyridin-1-ium-1-yl-benzamide chloride Formula: C23H18BrClN4O MolecularWeight: 481.77222

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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=CC=C3)[N+]4=CC=CC=C4.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrN4O.ClH/c1-17-10-12-19(13-11-17)23(29)28(27-14-6-3-7-15-27)22-21(24)26-20(16-25-22)18-8-4-2-5-9-18;/h2-16H,1H3;1H/q+1;/p-1