N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]-5-(2-thienyl)isoxazole-3-carboxamide CAS Name: N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]-5-thiophen-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]-5-(2-thienyl)isoxazole-3-carboxamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=NOC(=C2)C3=CC=CS3)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=NOC(=C2)C3=CC=CS3)[NH+]4CCCCC4

InChI

InChI=1S/C22H25N3O2S/c1-16-7-9-17(10-8-16)19(25-11-3-2-4-12-25)15-23-22(26)18-14-20(27-24-18)21-6-5-13-28-21/h5-10,13-14,19H,2-4,11-12,15H2,1H3,(H,23,26)/p+1/t19-/m0/s1