methyl 3-[(2R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 3-[(2R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[(2R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 3-[(2R)-3-[(2S)-2-ethyl-1-piperidin-1-iumyl]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[(2R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 3-[(2R)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C18H28NO4+ MolecularWeight: 322.41922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC(COC2=CC=CC(=C2)C(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4/c1-3-15-8-4-5-10-19(15)12-16(20)13-23-17-9-6-7-14(11-17)18(21)22-2/h6-7,9,11,15-16,20H,3-5,8,10,12-13H2,1-2H3/p+1/t15-,16+/m0/s1