5-bromanyl-1-[4-(1-oxidanidyl-4-phenyl-piperazin-1-ium-1-yl)butyl]-3-phenyl-indazole

Systemtic Name: 5-bromanyl-1-[4-(1-oxidanidyl-4-phenyl-piperazin-1-ium-1-yl)butyl]-3-phenyl-indazole Openeye Name: 5-bromo-1-[4-(1-oxido-4-phenyl-piperazin-1-ium-1-yl)butyl]-3-phenyl-indazole CAS Name: 5-bromo-1-[4-(1-oxido-4-phenyl-1-piperazin-1-iumyl)butyl]-3-phenylindazole IUPAC Name: 5-bromo-1-[4-(1-oxido-4-phenylpiperazin-1-ium-1-yl)butyl]-3-phenylindazole Traditional Name: 5-bromo-1-[4-(1-oxido-4-phenyl-piperazin-1-ium-1-yl)butyl]-3-phenyl-indazole Formula: C27H29BrN4O MolecularWeight: 505.44936

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C2=CC=CC=C2)(CCCCN3C4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5)[O-]

Isomeric SMILES

C1C[N+](CCN1C2=CC=CC=C2)(CCCCN3C4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C27H29BrN4O/c28-23-13-14-26-25(21-23)27(22-9-3-1-4-10-22)29-31(26)15-7-8-18-32(33)19-16-30(17-20-32)24-11-5-2-6-12-24/h1-6,9-14,21H,7-8,15-20H2