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

Systemtic Name: 5-bromanyl-3-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]indazole Openeye Name: 5-bromo-3-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]indazole CAS Name: 5-bromo-3-phenyl-1-[4-(4-phenyl-1-piperazin-1-iumyl)butyl]indazole IUPAC Name: 5-bromo-3-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]indazole Traditional Name: 5-bromo-3-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]indazole Formula: C27H30BrN4+ MolecularWeight: 490.4579

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H29BrN4/c28-23-13-14-26-25(21-23)27(22-9-3-1-4-10-22)29-32(26)16-8-7-15-30-17-19-31(20-18-30)24-11-5-2-6-12-24/h1-6,9-14,21H,7-8,15-20H2/p+1