1-(4-methylpiperazin-1-ium-1-yl)propan-2-yl 2-(3-methylphenoxy)ethanoate chloride

Systemtic Name: 1-(4-methylpiperazin-1-ium-1-yl)propan-2-yl 2-(3-methylphenoxy)ethanoate chloride Openeye Name: [1-methyl-2-(4-methylpiperazin-1-ium-1-yl)ethyl] 2-(3-methylphenoxy)acetate chloride CAS Name: 2-(3-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-(3-methylphenoxy)acetate chloride Traditional Name: 2-(3-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=C1)OCC(=O)OC(C)C[NH+]2CCN(CC2)C.[Cl-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)OC(C)C[NH+]2CCN(CC2)C.[Cl-]

InChI

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