(2S)-1-(4-phenylbutan-2-yl)pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: (2S)-1-(4-phenylbutan-2-yl)pyrrolidin-1-ium-2-carboxylic acid Openeye Name: (2S)-1-(1-methyl-3-phenyl-propyl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: (2S)-1-(4-phenylbutan-2-yl)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: (2S)-1-(4-phenylbutan-2-yl)pyrrolidin-1-ium-2-carboxylic acid Traditional Name: (2S)-1-(1-methyl-3-phenyl-propyl)pyrrolidin-1-ium-2-carboxylic acid Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH+]2CCCC2C(=O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)[NH+]2CCC[C@H]2C(=O)O

InChI

InChI=1S/C15H21NO2/c1-12(9-10-13-6-3-2-4-7-13)16-11-5-8-14(16)15(17)18/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,17,18)/p+1/t12?,14-/m0/s1