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

Systemtic Name: ethyl 1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[1-(2,4-dichlorophenyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H23Cl2N2O2+ MolecularWeight: 382.30412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CN2C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CN2C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H22Cl2N2O2/c1-2-25-19(24)14-7-10-22(11-8-14)13-16-4-3-9-23(16)18-6-5-15(20)12-17(18)21/h3-6,9,12,14H,2,7-8,10-11,13H2,1H3/p+1