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

Systemtic Name: N-[(2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-(4-isopropylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-(2-thienyl)isoxazole-3-carboxamide CAS Name: N-[(2R)-2-(1-piperidin-1-iumyl)-2-(4-propan-2-ylphenyl)ethyl]-5-thiophen-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-p-cumenyl-2-piperidin-1-ium-1-yl-ethyl]-5-(2-thienyl)isoxazole-3-carboxamide Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2S/c1-17(2)18-8-10-19(11-9-18)21(27-12-4-3-5-13-27)16-25-24(28)20-15-22(29-26-20)23-7-6-14-30-23/h6-11,14-15,17,21H,3-5,12-13,16H2,1-2H3,(H,25,28)/p+1/t21-/m0/s1