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

Systemtic Name: 5-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide Formula: C24H27ClN3O3+ MolecularWeight: 440.94248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl)[NH+]4CCCCC4

InChI

InChI=1S/C24H26ClN3O3/c1-30-20-11-7-17(8-12-20)22(28-13-3-2-4-14-28)16-26-24(29)21-15-23(31-27-21)18-5-9-19(25)10-6-18/h5-12,15,22H,2-4,13-14,16H2,1H3,(H,26,29)/p+1/t22-/m0/s1