1-(4-methylpiperazin-1-ium-1-yl)propan-2-yl 2-(2-methylphenoxy)ethanoate chloride

Systemtic Name: 1-(4-methylpiperazin-1-ium-1-yl)propan-2-yl 2-(2-methylphenoxy)ethanoate chloride Openeye Name: [1-methyl-2-(4-methylpiperazin-1-ium-1-yl)ethyl] 2-(2-methylphenoxy)acetate chloride CAS Name: 2-(2-methylphenoxy)acetic acid 1-(4-methyl-1-piperazin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-(4-methylpiperazin-1-ium-1-yl)propan-2-yl 2-(2-methylphenoxy)acetate chloride Traditional Name: 2-(2-methylphenoxy)acetic acid [1-methyl-2-(4-methylpiperazin-1-ium-1-yl)ethyl] ester chloride Formula: C17H27ClN2O3 MolecularWeight: 342.86088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)OC(C)C[NH+]2CCN(CC2)C.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)OC(C)C[NH+]2CCN(CC2)C.[Cl-]

InChI

InChI=1S/C17H26N2O3.ClH/c1-14-6-4-5-7-16(14)21-13-17(20)22-15(2)12-19-10-8-18(3)9-11-19;/h4-7,15H,8-13H2,1-3H3;1H