[(2R)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [(2R)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [(1R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [(2R)-1-(4-methyl-1-piperazin-4-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [(1R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl] ester Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CC[NH+](CC1)C)OC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H](CN1CC[NH+](CC1)C)OC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H24N2O4/c1-13(12-19-7-5-18(2)6-8-19)23-17(20)14-3-4-15-16(11-14)22-10-9-21-15/h3-4,11,13H,5-10,12H2,1-2H3/p+1/t13-/m1/s1