2-[5-bromanyl-1-[4-[4-(5-phenyl-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-phenyl-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-phenyl-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-phenyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-3-pyridin-1-iumyl]acetamide IUPAC Name: 2-[5-bromo-1-[4-[4-(5-phenyl-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-phenyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridin-1-ium-3-yl]acetamide Formula: C29H21BrN5O2+ MolecularWeight: 551.41334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)C4=C(NN=C4)C5=CC=C(C=C5)[N+]6=CC(=CC(=C6)Br)CC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=N3)C4=C(NN=C4)C5=CC=C(C=C5)[N+]6=CC(=CC(=C6)Br)CC(=O)N

InChI

InChI=1S/C29H20BrN5O2/c30-22-12-18(13-27(31)36)16-35(17-22)23-9-6-20(7-10-23)28-24(15-32-34-28)29-33-25-14-21(8-11-26(25)37-29)19-4-2-1-3-5-19/h1-12,14-17H,13H2,(H2-,31,32,33,34,36)/p+1