3-(4-methylpiperazin-1-ium-1-yl)propyl 2-ethyl-2-methyl-hexanoate chloride

Systemtic Name: 3-(4-methylpiperazin-1-ium-1-yl)propyl 2-ethyl-2-methyl-hexanoate chloride Openeye Name: 3-(4-methylpiperazin-1-ium-1-yl)propyl 2-ethyl-2-methyl-hexanoate chloride CAS Name: 2-ethyl-2-methylhexanoic acid 3-(4-methyl-1-piperazin-1-iumyl)propyl ester chloride IUPAC Name: 3-(4-methylpiperazin-1-ium-1-yl)propyl 2-ethyl-2-methylhexanoate chloride Traditional Name: 2-ethyl-2-methyl-hexanoic acid 3-(4-methylpiperazin-1-ium-1-yl)propyl ester chloride Formula: C17H35ClN2O2 MolecularWeight: 334.925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC)C(=O)OCCC[NH+]1CCN(CC1)C.[Cl-]

Isomeric SMILES

CCCCC(C)(CC)C(=O)OCCC[NH+]1CCN(CC1)C.[Cl-]

InChI

InChI=1S/C17H34N2O2.ClH/c1-5-7-9-17(3,6-2)16(20)21-15-8-10-19-13-11-18(4)12-14-19;/h5-15H2,1-4H3;1H