(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Openeye Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methanone IUPAC Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methanone Traditional Name: (5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C(=C3)OC)OCCO4

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C(=C3)OC)OCCO4

InChI

InChI=1S/C21H24N2O4/c1-22-8-9-23(17(14-22)15-6-4-3-5-7-15)21(24)16-12-18(25-2)20-19(13-16)26-10-11-27-20/h3-7,12-13,17H,8-11,14H2,1-2H3/p+1/t17-/m0/s1