methyl 4-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(2S)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C20H24NO3+ MolecularWeight: 326.40946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCC[NH+]2CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CCC[NH+]2CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H23NO3/c1-23-18-11-9-16(10-12-18)19-4-3-13-21(19)14-15-5-7-17(8-6-15)20(22)24-2/h5-12,19H,3-4,13-14H2,1-2H3/p+1/t19-/m0/s1