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

Systemtic Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-5-phenyl-isoxazole-3-carboxamide Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4/c1-30-22-12-11-19(15-24(22)31-2)21(28-13-7-4-8-14-28)17-26-25(29)20-16-23(32-27-20)18-9-5-3-6-10-18/h3,5-6,9-12,15-16,21H,4,7-8,13-14,17H2,1-2H3,(H,26,29)/p+1/t21-/m0/s1