N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-5-(2-thienyl)isoxazole-3-carboxamide CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-5-thiophen-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-5-(2-thienyl)isoxazole-3-carboxamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=NOC(=C2)C3=CC=CS3)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=NOC(=C2)C3=CC=CS3)[NH+]4CCCCC4

InChI

InChI=1S/C20H23N3O3S/c1-14-7-8-17(25-14)16(23-9-3-2-4-10-23)13-21-20(24)15-12-18(26-22-15)19-6-5-11-27-19/h5-8,11-12,16H,2-4,9-10,13H2,1H3,(H,21,24)/p+1/t16-/m0/s1