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

Systemtic Name: N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-(p-tolyl)isoxazole-3-carboxamide CAS Name: N-[(2R)-2-(4-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-(4-methylphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-(p-tolyl)isoxazole-3-carboxamide Formula: C23H25ClN3O2+ MolecularWeight: 410.9165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C3=CC=C(C=C3)Cl)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@@H](C3=CC=C(C=C3)Cl)[NH+]4CCCC4

InChI

InChI=1S/C23H24ClN3O2/c1-16-4-6-18(7-5-16)22-14-20(26-29-22)23(28)25-15-21(27-12-2-3-13-27)17-8-10-19(24)11-9-17/h4-11,14,21H,2-3,12-13,15H2,1H3,(H,25,28)/p+1/t21-/m0/s1