methyl 4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]benzoate CAS Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-1-piperazin-4-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-4-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]benzoic acid methyl ester Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H24N2O3/c1-17-8-9-18(12-15(17)7-10-19)11-13-3-5-14(6-4-13)16(20)21-2/h3-6,15,19H,7-12H2,1-2H3/p+1/t15-/m0/s1