methyl 3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C17H27N2O4+ MolecularWeight: 323.40728

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=CC(=C2)C(=O)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)C(=O)OC)O

InChI

InChI=1S/C17H26N2O4/c1-3-18-7-9-19(10-8-18)12-15(20)13-23-16-6-4-5-14(11-16)17(21)22-2/h4-6,11,15,20H,3,7-10,12-13H2,1-2H3/p+1/t15-/m0/s1