(2S)-N-(3-bromanyl-4-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(3-bromanyl-4-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(3-bromo-4-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(3-bromo-4-methylphenyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(3-bromo-4-methylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(3-bromo-4-methyl-phenyl)pyrrolidin-1-ium-2-carboxamide Formula: C12H16BrN2O+ MolecularWeight: 284.17224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCC[NH2+]2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@H]2CCC[NH2+]2)Br

InChI

InChI=1S/C12H15BrN2O/c1-8-4-5-9(7-10(8)13)15-12(16)11-3-2-6-14-11/h4-5,7,11,14H,2-3,6H2,1H3,(H,15,16)/p+1/t11-/m0/s1