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

Systemtic Name: methyl (3S)-4,4-dimethyl-1-(phenylmethyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: methyl (3S)-1-benzyl-4,4-dimethyl-pyrrolidin-1-ium-3-carboxylate CAS Name: (3S)-4,4-dimethyl-1-(phenylmethyl)-3-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (3S)-1-benzyl-4,4-dimethylpyrrolidin-1-ium-3-carboxylate Traditional Name: (3S)-1-benzyl-4,4-dimethyl-pyrrolidin-1-ium-3-carboxylic acid methyl ester Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO2/c1-15(2)11-16(10-13(15)14(17)18-3)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/p+1/t13-/m0/s1