(2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide Formula: C13H18ClN2O2+ MolecularWeight: 269.74722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2CCC[NH2+]2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@@H]2CCC[NH2+]2

InChI

InChI=1S/C13H17ClN2O2/c1-8-6-11(12(18-2)7-9(8)14)16-13(17)10-4-3-5-15-10/h6-7,10,15H,3-5H2,1-2H3,(H,16,17)/p+1/t10-/m0/s1