5-(4-ethoxy-3-methyl-phenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(4-ethoxy-3-methyl-phenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-ethoxy-3-methyl-phenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide CAS Name: 5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-ethoxy-3-methylphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(4-ethoxy-3-methyl-phenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]isoxazole-3-carboxamide Formula: C26H32N3O4+ MolecularWeight: 450.54998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4)C

InChI

InChI=1S/C26H31N3O4/c1-4-32-24-12-9-20(15-18(24)2)25-16-22(28-33-25)26(30)27-17-23(29-13-5-6-14-29)19-7-10-21(31-3)11-8-19/h7-12,15-16,23H,4-6,13-14,17H2,1-3H3,(H,27,30)/p+1/t23-/m0/s1