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

Systemtic Name: N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-(4-ethoxyphenyl)isoxazole-3-carboxamide CAS Name: N-[(2R)-2-(4-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-(4-ethoxyphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5-(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-p-phenetyl-isoxazole-3-carboxamide Formula: C24H27ClN3O3+ MolecularWeight: 440.94248

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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)Cl)[NH+]4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O3/c1-2-30-20-11-7-18(8-12-20)23-15-21(27-31-23)24(29)26-16-22(28-13-3-4-14-28)17-5-9-19(25)10-6-17/h5-12,15,22H,2-4,13-14,16H2,1H3,(H,26,29)/p+1/t22-/m0/s1