N'-(4-bromanyl-3-methyl-phenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ethanediamide

Systemtic Name: N'-(4-bromanyl-3-methyl-phenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ethanediamide Openeye Name: N'-(4-bromo-3-methyl-phenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)oxamide CAS Name: N'-(4-bromo-3-methylphenyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)oxamide IUPAC Name: N'-(4-bromo-3-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)oxamide Traditional Name: N'-(4-bromo-3-methyl-phenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)oxamide Formula: C18H27BrN3O2+ MolecularWeight: 397.32988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(=O)NC2CC([NH2+]C(C2)(C)C)(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(=O)NC2CC([NH2+]C(C2)(C)C)(C)C)Br

InChI

InChI=1S/C18H26BrN3O2/c1-11-8-12(6-7-14(11)19)20-15(23)16(24)21-13-9-17(2,3)22-18(4,5)10-13/h6-8,13,22H,9-10H2,1-5H3,(H,20,23)(H,21,24)/p+1