(3R)-1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[1-(2,4-dichlorophenyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C17H20Cl2N3O+ MolecularWeight: 353.2662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=C(C=C(C=C3)Cl)Cl)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC=CN2C3=C(C=C(C=C3)Cl)Cl)C(=O)N

InChI

InChI=1S/C17H19Cl2N3O/c18-13-5-6-16(15(19)9-13)22-8-2-4-14(22)11-21-7-1-3-12(10-21)17(20)23/h2,4-6,8-9,12H,1,3,7,10-11H2,(H2,20,23)/p+1/t12-/m1/s1