methyl (1R,2S)-1-(3-methylbut-2-enyl)-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (1R,2S)-1-(3-methylbut-2-enyl)-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (1R,2S)-1-benzyl-1-(3-methylbut-2-enyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (1R,2S)-1-(3-methylbut-2-enyl)-1-(phenylmethyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-1-benzyl-1-(3-methylbut-2-enyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (1R,2S)-1-benzyl-1-(3-methylbut-2-enyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C18H26NO2+ MolecularWeight: 288.40454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[N+]1(CCCC1C(=O)OC)CC2=CC=CC=C2)C

Isomeric SMILES

CC(=CC[N@+]1(CCC[C@H]1C(=O)OC)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H26NO2/c1-15(2)11-13-19(14-16-8-5-4-6-9-16)12-7-10-17(19)18(20)21-3/h4-6,8-9,11,17H,7,10,12-14H2,1-3H3/q+1/t17-,19+/m0/s1