2,3-dihydro-1,4-benzodioxin-6-yl-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone chloride

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone chloride Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone chloride CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone chloride IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone chloride Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2,3-dihydro-1,4-benzodioxin-6-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)C4=CC5=C(C=C4)OCCO5.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCCO5.[Cl-]

InChI

InChI=1S/C26H26N2O3.ClH/c29-26(22-11-12-23-24(19-22)31-18-17-30-23)28-15-13-27(14-16-28)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21;/h1-12,19,25H,13-18H2;1H