(4-methylpiperazin-4-ium-1-yl)-[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]methanone Openeye Name: [2-(4-benzyloxyphenyl)-3H-benzimidazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]methanone Traditional Name: [2-(4-benzoxyphenyl)-3H-benzimidazol-5-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C26H27N4O2+ MolecularWeight: 427.51818

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2/c1-29-13-15-30(16-14-29)26(31)21-9-12-23-24(17-21)28-25(27-23)20-7-10-22(11-8-20)32-18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3,(H,27,28)/p+1