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

Systemtic Name: 5-(4-methylphenyl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-5-(p-tolyl)isoxazole-3-carboxamide CAS Name: 5-(4-methylphenyl)-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-methylphenyl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-5-(p-tolyl)isoxazole-3-carboxamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)C)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)C)C4=CC=CS4

InChI

InChI=1S/C23H27N3O2S/c1-16-5-7-18(8-6-16)21-14-19(25-28-21)23(27)24-15-20(22-4-3-13-29-22)26-11-9-17(2)10-12-26/h3-8,13-14,17,20H,9-12,15H2,1-2H3,(H,24,27)/p+1/t20-/m1/s1