5-bromanyl-3-(2-chlorophenyl)-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]indazole

Systemtic Name: 5-bromanyl-3-(2-chlorophenyl)-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]indazole Openeye Name: 5-bromo-3-(2-chlorophenyl)-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]indazole CAS Name: 5-bromo-3-(2-chlorophenyl)-1-[4-(4-phenyl-1-piperazin-1-iumyl)butyl]indazole IUPAC Name: 5-bromo-3-(2-chlorophenyl)-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]indazole Traditional Name: 5-bromo-3-(2-chlorophenyl)-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]indazole Formula: C27H29BrClN4+ MolecularWeight: 524.90296

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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=C4Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H28BrClN4/c28-21-12-13-26-24(20-21)27(23-10-4-5-11-25(23)29)30-33(26)15-7-6-14-31-16-18-32(19-17-31)22-8-2-1-3-9-22/h1-5,8-13,20H,6-7,14-19H2/p+1