(2R)-N-(2-chloranyl-4-methyl-phenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-(2-chloranyl-4-methyl-phenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-(2-chloro-4-methyl-phenyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-(2-chloro-4-methylphenyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-(2-chloro-4-methylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-(2-chloro-4-methyl-phenyl)piperidin-1-ium-2-carboxamide Formula: C13H18ClN2O+ MolecularWeight: 253.74782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCCC[NH2+]2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H]2CCCC[NH2+]2)Cl

InChI

InChI=1S/C13H17ClN2O/c1-9-5-6-11(10(14)8-9)16-13(17)12-4-2-3-7-15-12/h5-6,8,12,15H,2-4,7H2,1H3,(H,16,17)/p+1/t12-/m1/s1