(2S)-N-(2-ethyl-6-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(2-ethyl-6-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(2-ethyl-6-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(2-ethyl-6-methylphenyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(2-ethyl-6-methylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(2-ethyl-6-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide Formula: C14H21N2O+ MolecularWeight: 233.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCC[NH2+]2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@@H]2CCC[NH2+]2)C

InChI

InChI=1S/C14H20N2O/c1-3-11-7-4-6-10(2)13(11)16-14(17)12-8-5-9-15-12/h4,6-7,12,15H,3,5,8-9H2,1-2H3,(H,16,17)/p+1/t12-/m0/s1