5-methyl-4-[[(3S)-3-propoxypiperidin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 5-methyl-4-[[(3S)-3-propoxypiperidin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 5-methyl-4-[[(3S)-3-propoxypiperidin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole CAS Name: 5-methyl-4-[[(3S)-3-propoxy-1-piperidin-1-iumyl]methyl]-2-thiophen-2-yloxazole IUPAC Name: 5-methyl-4-[[(3S)-3-propoxypiperidin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 5-methyl-4-[[(3S)-3-propoxypiperidin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole Formula: C17H25N2O2S+ MolecularWeight: 321.4576

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCC[NH+](C1)CC2=C(OC(=N2)C3=CC=CS3)C

Isomeric SMILES

CCCO[C@H]1CCC[NH+](C1)CC2=C(OC(=N2)C3=CC=CS3)C

InChI

InChI=1S/C17H24N2O2S/c1-3-9-20-14-6-4-8-19(11-14)12-15-13(2)21-17(18-15)16-7-5-10-22-16/h5,7,10,14H,3-4,6,8-9,11-12H2,1-2H3/p+1/t14-/m0/s1