(2R,4S)-N-methyl-N-[(4-methylphenyl)methyl]-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R,4S)-N-methyl-N-[(4-methylphenyl)methyl]-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-4-hydroxy-N-methyl-N-(p-tolylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-4-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-4-hydroxy-N-methyl-N-[(4-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-4-hydroxy-N-methyl-N-(4-methylbenzyl)pyrrolidin-1-ium-2-carboxamide Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2/c1-10-3-5-11(6-4-10)9-16(2)14(18)13-7-12(17)8-15-13/h3-6,12-13,15,17H,7-9H2,1-2H3/p+1/t12-,13+/m0/s1