(2S)-2-(3-methoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butanoate

Systemtic Name: (2S)-2-(3-methoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butanoate Openeye Name: (2S)-2-(3-methoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butanoate CAS Name: (2S)-2-(3-methoxyphenyl)-4-(1-pyrrolidin-1-iumyl)butanoate IUPAC Name: (2S)-2-(3-methoxyphenyl)-4-pyrrolidin-1-ium-1-ylbutanoate Traditional Name: (2S)-2-(3-methoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butyrate Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CC[NH+]2CCCC2)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CC[NH+]2CCCC2)C(=O)[O-]

InChI

InChI=1S/C15H21NO3/c1-19-13-6-4-5-12(11-13)14(15(17)18)7-10-16-8-2-3-9-16/h4-6,11,14H,2-3,7-10H2,1H3,(H,17,18)/t14-/m0/s1