methyl 2-[4-[(3S)-pyrrolidin-1-ium-3-yl]oxyphenyl]ethanoate

Systemtic Name: methyl 2-[4-[(3S)-pyrrolidin-1-ium-3-yl]oxyphenyl]ethanoate Openeye Name: methyl 2-[4-[(3S)-pyrrolidin-1-ium-3-yl]oxyphenyl]acetate CAS Name: 2-[4-[[(3S)-3-pyrrolidin-1-iumyl]oxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(3S)-pyrrolidin-1-ium-3-yl]oxyphenyl]acetate Traditional Name: 2-[4-[(3S)-pyrrolidin-1-ium-3-yl]oxyphenyl]acetic acid methyl ester Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)OC2CC[NH2+]C2

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)O[C@H]2CC[NH2+]C2

InChI

InChI=1S/C13H17NO3/c1-16-13(15)8-10-2-4-11(5-3-10)17-12-6-7-14-9-12/h2-5,12,14H,6-9H2,1H3/p+1/t12-/m0/s1