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

Systemtic Name: 5-(4-bromophenyl)-N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-bromophenyl)-N-[(2R)-2-(4-ethoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(2R)-2-piperidin-1-ium-1-yl-2-p-phenetyl-ethyl]isoxazole-3-carboxamide Formula: C25H29BrN3O3+ MolecularWeight: 499.42006

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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)Br)[NH+]4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrN3O3/c1-2-31-21-12-8-18(9-13-21)23(29-14-4-3-5-15-29)17-27-25(30)22-16-24(32-28-22)19-6-10-20(26)11-7-19/h6-13,16,23H,2-5,14-15,17H2,1H3,(H,27,30)/p+1/t23-/m0/s1