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

Systemtic Name: 5-nitro-3-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]indazole Openeye Name: 5-nitro-3-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]indazole CAS Name: 5-nitro-3-phenyl-1-[4-(4-phenyl-1-piperazin-1-iumyl)butyl]indazole IUPAC Name: 5-nitro-3-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]indazole Traditional Name: 5-nitro-3-phenyl-1-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]indazole Formula: C27H30N5O2+ MolecularWeight: 456.5594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O2/c33-32(34)24-13-14-26-25(21-24)27(22-9-3-1-4-10-22)28-31(26)16-8-7-15-29-17-19-30(20-18-29)23-11-5-2-6-12-23/h1-6,9-14,21H,7-8,15-20H2/p+1