ethyl (3S)-1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[1-(2,4-dichlorophenyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H23Cl2N2O2+ MolecularWeight: 382.30412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC=CN2C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC=CN2C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H22Cl2N2O2/c1-2-25-19(24)14-5-3-9-22(12-14)13-16-6-4-10-23(16)18-8-7-15(20)11-17(18)21/h4,6-8,10-11,14H,2-3,5,9,12-13H2,1H3/p+1/t14-/m0/s1