[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[(2R)-2,3-dihydrobenzofuran-2-yl]methanone CAS Name: [(2R)-2,3-dihydrobenzofuran-2-yl]-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[(2R)-coumaran-2-yl]methanone Formula: C26H27N2O2+ MolecularWeight: 399.50478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[C@H]4CC5=CC=CC=C5O4

InChI

InChI=1S/C26H26N2O2/c29-26(24-19-22-13-7-8-14-23(22)30-24)28-17-15-27(16-18-28)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,24-25H,15-19H2/p+1/t24-/m1/s1