ethyl 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[1-(2-methoxyphenyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CN2C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CN2C3=CC=CC=C3OC

InChI

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