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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

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