N-cyclopropyl-2-ethyl-6-(4-fluorophenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide

Systemtic Name: N-cyclopropyl-2-ethyl-6-(4-fluorophenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Openeye Name: N-cyclopropyl-2-ethyl-6-(4-fluorophenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide CAS Name: N-cyclopropyl-2-ethyl-6-(4-fluorophenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide IUPAC Name: N-cyclopropyl-2-ethyl-6-(4-fluorophenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Traditional Name: N-cyclopropyl-2-ethyl-6-(4-fluorophenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Formula: C22H24FN2O2+ MolecularWeight: 367.436563

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=[N+]2C(=O)NC3CC3)CC)C4=CC=C(C=C4)F

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=[N+]2C(=O)NC3CC3)CC)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN2O2/c1-3-5-18-17(14-6-8-15(23)9-7-14)12-13-19-21(18)27-20(4-2)25(19)22(26)24-16-10-11-16/h6-9,12-13,16H,3-5,10-11H2,1-2H3/p+1