1-[3-[4-(diphenylmethyl)piperazin-1-ium-1-yl]propyl]benzimidazol-2-olate

Systemtic Name: 1-[3-[4-(diphenylmethyl)piperazin-1-ium-1-yl]propyl]benzimidazol-2-olate Openeye Name: 1-[3-(4-benzhydrylpiperazin-1-ium-1-yl)propyl]benzimidazol-2-olate CAS Name: 1-[3-[4-(diphenylmethyl)-1-piperazin-1-iumyl]propyl]-2-benzimidazololate IUPAC Name: 1-[3-(4-benzhydrylpiperazin-1-ium-1-yl)propyl]benzimidazol-2-olate Traditional Name: 1-[3-(4-benzhydrylpiperazin-1-ium-1-yl)propyl]benzimidazol-2-olate Formula: C27H30N4O MolecularWeight: 426.5533

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCN2C3=CC=CC=C3N=C2[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCCN2C3=CC=CC=C3N=C2[O-])C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)