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

Systemtic Name: N-[3-bromanyl-1-tert-butyl-5-(2-methylphenyl)-2-oxidanylidene-7-phenyl-azepan-1-ium-1-yl]ethanamide Openeye Name: N-[3-bromo-1-tert-butyl-5-(o-tolyl)-2-oxo-7-phenyl-azepan-1-ium-1-yl]acetamide CAS Name: N-[3-bromo-1-tert-butyl-5-(2-methylphenyl)-2-oxo-7-phenyl-1-azepan-1-iumyl]acetamide IUPAC Name: N-[3-bromo-1-tert-butyl-5-(2-methylphenyl)-2-oxo-7-phenylazepan-1-ium-1-yl]acetamide Traditional Name: N-[3-bromo-1-tert-butyl-2-keto-5-(o-tolyl)-7-phenyl-azepan-1-ium-1-yl]acetamide Formula: C25H32BrN2O2+ MolecularWeight: 472.43778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CC([N+](C(=O)C(C2)Br)(C(C)(C)C)NC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2CC([N+](C(=O)C(C2)Br)(C(C)(C)C)NC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C25H31BrN2O2/c1-17-11-9-10-14-21(17)20-15-22(26)24(30)28(25(3,4)5,27-18(2)29)23(16-20)19-12-7-6-8-13-19/h6-14,20,22-23H,15-16H2,1-5H3/p+1