[(2S)-3,3-dimethyl-1-pyrrolidin-1-ium-1-yl-butan-2-yl] benzoate

Systemtic Name: [(2S)-3,3-dimethyl-1-pyrrolidin-1-ium-1-yl-butan-2-yl] benzoate Openeye Name: [(1S)-2,2-dimethyl-1-(pyrrolidin-1-ium-1-ylmethyl)propyl] benzoate CAS Name: benzoic acid [(2S)-3,3-dimethyl-1-(1-pyrrolidin-1-iumyl)butan-2-yl] ester IUPAC Name: [(2S)-3,3-dimethyl-1-pyrrolidin-1-ium-1-ylbutan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-2,2-dimethyl-1-(pyrrolidin-1-ium-1-ylmethyl)propyl] ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C[NH+]1CCCC1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[C@@H](C[NH+]1CCCC1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H25NO2/c1-17(2,3)15(13-18-11-7-8-12-18)20-16(19)14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3/p+1/t15-/m1/s1