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

Systemtic Name: N-[3-azido-1-tert-butyl-5-(2-methoxyphenyl)-2-oxidanylidene-7-phenyl-azepan-1-ium-1-yl]ethanamide Openeye Name: N-[3-azido-1-tert-butyl-5-(2-methoxyphenyl)-2-oxo-7-phenyl-azepan-1-ium-1-yl]acetamide CAS Name: N-[3-azido-1-tert-butyl-5-(2-methoxyphenyl)-2-oxo-7-phenyl-1-azepan-1-iumyl]acetamide IUPAC Name: N-[3-azido-1-tert-butyl-5-(2-methoxyphenyl)-2-oxo-7-phenylazepan-1-ium-1-yl]acetamide Traditional Name: N-[3-azido-1-tert-butyl-2-keto-5-(2-methoxyphenyl)-7-phenyl-azepan-1-ium-1-yl]acetamide Formula: C25H32N5O3+ MolecularWeight: 450.55328

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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=CC=C2OC)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=CC=C2OC)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C25H31N5O3/c1-17(31)28-30(25(2,3)4)22(18-11-7-6-8-12-18)16-19(15-21(24(30)32)27-29-26)20-13-9-10-14-23(20)33-5/h6-14,19,21-22H,15-16H2,1-5H3/p+1