2-[2-[(R)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[(R)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[(R)-phenyl(pyrrolidin-1-ium-1-yl)methyl]thiazol-4-yl]acetate CAS Name: 2-[2-[(R)-phenyl(1-pyrrolidin-1-iumyl)methyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[(R)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(R)-phenyl(pyrrolidin-1-ium-1-yl)methyl]thiazol-4-yl]acetate Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C2=CC=CC=C2)C3=NC(=CS3)CC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)[C@H](C2=CC=CC=C2)C3=NC(=CS3)CC(=O)[O-]

InChI

InChI=1S/C16H18N2O2S/c19-14(20)10-13-11-21-16(17-13)15(18-8-4-5-9-18)12-6-2-1-3-7-12/h1-3,6-7,11,15H,4-5,8-10H2,(H,19,20)/t15-/m1/s1