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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O/c1-8-7-9(13)4-5-10(8)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