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

Systemtic Name: methyl 4-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(2S)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C18H23N2O2+ MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCC[NH+]2CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C=CC=C1[C@@H]2CCC[NH+]2CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H22N2O2/c1-19-11-3-5-16(19)17-6-4-12-20(17)13-14-7-9-15(10-8-14)18(21)22-2/h3,5,7-11,17H,4,6,12-13H2,1-2H3/p+1/t17-/m0/s1