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

Systemtic Name: (2R,4S)-N-(4-bromanyl-3-methyl-phenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-N-(4-bromo-3-methyl-phenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-N-(4-bromo-3-methylphenyl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-N-(4-bromo-3-methylphenyl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-N-(4-bromo-3-methyl-phenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C12H16BrN2O2+ MolecularWeight: 300.17164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CC(C[NH2+]2)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O2/c1-7-4-8(2-3-10(7)13)15-12(17)11-5-9(16)6-14-11/h2-4,9,11,14,16H,5-6H2,1H3,(H,15,17)/p+1/t9-,11+/m0/s1