[4-(benzimidazol-1-yl)phenyl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(benzimidazol-1-yl)phenyl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(benzimidazol-1-yl)phenyl]-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(1-benzimidazolyl)phenyl]-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(benzimidazol-1-yl)phenyl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(benzimidazol-1-yl)phenyl]-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C27H27N4O2+ MolecularWeight: 439.52888

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=NC6=CC=CC=C65

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=NC6=CC=CC=C65

InChI

InChI=1S/C27H26N4O2/c32-27(21-6-8-23(9-7-21)31-19-28-24-3-1-2-4-25(24)31)30-14-12-29(13-15-30)18-20-5-10-26-22(17-20)11-16-33-26/h1-10,17,19H,11-16,18H2/p+1