N-cyclopropyl-2-ethyl-5-(4-fluorophenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide

Systemtic Name: N-cyclopropyl-2-ethyl-5-(4-fluorophenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Openeye Name: N-cyclopropyl-2-ethyl-5-(4-fluorophenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide CAS Name: N-cyclopropyl-2-ethyl-5-(4-fluorophenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide IUPAC Name: N-cyclopropyl-2-ethyl-5-(4-fluorophenyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Traditional Name: N-cyclopropyl-2-ethyl-5-(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=C2C(=CC(=C1)C3=CC=C(C=C3)F)[N+](=C(O2)CC)C(=O)NC4CC4

Isomeric SMILES

CCCC1=C2C(=CC(=C1)C3=CC=C(C=C3)F)[N+](=C(O2)CC)C(=O)NC4CC4

InChI

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