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

Systemtic Name: methyl 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]benzoate CAS Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]benzoic acid methyl ester Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CC[NH+](C(C2)CCO)C3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCCC3

InChI

InChI=1S/C20H30N2O3/c1-25-20(24)17-8-6-16(7-9-17)14-21-11-12-22(18-4-2-3-5-18)19(15-21)10-13-23/h6-9,18-19,23H,2-5,10-15H2,1H3/p+1/t19-/m0/s1