ethyl (3S)-1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[1-(2-methoxyphenyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC=CN2C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC=CN2C3=CC=CC=C3OC

InChI

InChI=1S/C20H26N2O3/c1-3-25-20(23)16-8-6-12-21(14-16)15-17-9-7-13-22(17)18-10-4-5-11-19(18)24-2/h4-5,7,9-11,13,16H,3,6,8,12,14-15H2,1-2H3/p+1/t16-/m0/s1