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

Systemtic Name: methyl 3-methoxy-4-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]benzoate Openeye Name: methyl 4-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzoate CAS Name: 4-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxybenzoate Traditional Name: 4-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzoic acid methyl ester Formula: C16H24NO5+ MolecularWeight: 310.36546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(C[NH+]2CCCC2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC[C@H](C[NH+]2CCCC2)O

InChI

InChI=1S/C16H23NO5/c1-20-15-9-12(16(19)21-2)5-6-14(15)22-11-13(18)10-17-7-3-4-8-17/h5-6,9,13,18H,3-4,7-8,10-11H2,1-2H3/p+1/t13-/m0/s1