2-[5-bromanyl-1-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridin-1-ium-3-yl]ethanamide

Systemtic Name: 2-[5-bromanyl-1-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridin-1-ium-3-yl]ethanamide Openeye Name: 2-[5-bromo-1-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridin-1-ium-3-yl]acetamide CAS Name: 2-[5-bromo-1-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-3-pyridin-1-iumyl]acetamide IUPAC Name: 2-[5-bromo-1-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridin-1-ium-3-yl]acetamide Traditional Name: 2-[5-bromo-1-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridin-1-ium-3-yl]acetamide Formula: C24H19BrN5O2+ MolecularWeight: 489.34396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=C(NN=C3)C4=CC=C(C=C4)[N+]5=CC(=CC(=C5)Br)CC(=O)N

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=C(NN=C3)C4=CC=C(C=C4)[N+]5=CC(=CC(=C5)Br)CC(=O)N

InChI

InChI=1S/C24H18BrN5O2/c1-14-2-7-21-20(8-14)28-24(32-21)19-11-27-29-23(19)16-3-5-18(6-4-16)30-12-15(10-22(26)31)9-17(25)13-30/h2-9,11-13H,10H2,1H3,(H2-,26,27,28,29,31)/p+1