N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methyl-1,3-thiazole-5-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methyl-thiazole-5-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-methyl-5-thiazolecarboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-methyl-thiazole-5-carboxamide Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C(=O)NCC(C2=CC=CO2)[NH+]3CCCC3

Isomeric SMILES

CC1=C(SC=N1)C(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCC3

InChI

InChI=1S/C15H19N3O2S/c1-11-14(21-10-17-11)15(19)16-9-12(13-5-4-8-20-13)18-6-2-3-7-18/h4-5,8,10,12H,2-3,6-7,9H2,1H3,(H,16,19)/p+1/t12-/m0/s1