N-[3-azido-1-tert-butyl-5-(4-fluorophenyl)-2-oxidanylidene-7-phenyl-azepan-1-ium-1-yl]ethanamide

Systemtic Name: N-[3-azido-1-tert-butyl-5-(4-fluorophenyl)-2-oxidanylidene-7-phenyl-azepan-1-ium-1-yl]ethanamide Openeye Name: N-[3-azido-1-tert-butyl-5-(4-fluorophenyl)-2-oxo-7-phenyl-azepan-1-ium-1-yl]acetamide CAS Name: N-[3-azido-1-tert-butyl-5-(4-fluorophenyl)-2-oxo-7-phenyl-1-azepan-1-iumyl]acetamide IUPAC Name: N-[3-azido-1-tert-butyl-5-(4-fluorophenyl)-2-oxo-7-phenylazepan-1-ium-1-yl]acetamide Traditional Name: N-[3-azido-1-tert-butyl-5-(4-fluorophenyl)-2-keto-7-phenyl-azepan-1-ium-1-yl]acetamide Formula: C24H29FN5O2+ MolecularWeight: 438.517763

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N[N+]1(C(CC(CC(C1=O)N=[N+]=[N-])C2=CC=C(C=C2)F)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(=O)N[N+]1(C(CC(CC(C1=O)N=[N+]=[N-])C2=CC=C(C=C2)F)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C24H28FN5O2/c1-16(31)28-30(24(2,3)4)22(18-8-6-5-7-9-18)15-19(14-21(23(30)32)27-29-26)17-10-12-20(25)13-11-17/h5-13,19,21-22H,14-15H2,1-4H3/p+1