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

Systemtic Name: N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-(4-methoxyphenyl)isoxazole-3-carboxamide CAS Name: N-[(2R)-2-(4-ethoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-5-(4-methoxyphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-methoxyphenyl)-N-[(2R)-2-piperidin-1-ium-1-yl-2-p-phenetyl-ethyl]isoxazole-3-carboxamide Formula: C26H32N3O4+ MolecularWeight: 450.54998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

InChI=1S/C26H31N3O4/c1-3-32-22-13-7-19(8-14-22)24(29-15-5-4-6-16-29)18-27-26(30)23-17-25(33-28-23)20-9-11-21(31-2)12-10-20/h7-14,17,24H,3-6,15-16,18H2,1-2H3,(H,27,30)/p+1/t24-/m0/s1