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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone chloride Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone chloride CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone chloride IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone chloride Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone chloride Formula: C26H27ClN2O3 MolecularWeight: 450.95718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4COC5=CC=CC=C5O4.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4COC5=CC=CC=C5O4.[Cl-]

InChI

InChI=1S/C26H26N2O3.ClH/c29-26(24-19-30-22-13-7-8-14-23(22)31-24)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;1H