(3S)-4,4-dimethyl-1-(phenylmethyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: (3S)-4,4-dimethyl-1-(phenylmethyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: (3S)-1-benzyl-4,4-dimethyl-pyrrolidin-1-ium-3-carboxylate CAS Name: (3S)-4,4-dimethyl-1-(phenylmethyl)-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (3S)-1-benzyl-4,4-dimethylpyrrolidin-1-ium-3-carboxylate Traditional Name: (3S)-1-benzyl-4,4-dimethyl-pyrrolidin-1-ium-3-carboxylate Formula: C14H19NO2 MolecularWeight: 233.30616

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[NH+](CC1C(=O)[O-])CC2=CC=CC=C2)C

Isomeric SMILES

CC1(C[NH+](C[C@H]1C(=O)[O-])CC2=CC=CC=C2)C

InChI

InChI=1S/C14H19NO2/c1-14(2)10-15(9-12(14)13(16)17)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,16,17)/t12-/m0/s1