1-[3-[2-bromanyl-4-(2-methylhexan-2-yl)phenyl]-2-methyl-propyl]-1-methyl-piperidin-1-ium bromide

Systemtic Name: 1-[3-[2-bromanyl-4-(2-methylhexan-2-yl)phenyl]-2-methyl-propyl]-1-methyl-piperidin-1-ium bromide Openeye Name: 1-[3-[2-bromo-4-(1,1-dimethylpentyl)phenyl]-2-methyl-propyl]-1-methyl-piperidin-1-ium bromide CAS Name: 1-[3-[2-bromo-4-(2-methylhexan-2-yl)phenyl]-2-methylpropyl]-1-methylpiperidin-1-ium bromide IUPAC Name: 1-[3-[2-bromo-4-(2-methylhexan-2-yl)phenyl]-2-methylpropyl]-1-methylpiperidin-1-ium bromide Traditional Name: 1-[3-[2-bromo-4-(1,1-dimethylpentyl)phenyl]-2-methyl-propyl]-1-methyl-piperidin-1-ium bromide Formula: C23H39Br2N MolecularWeight: 489.37046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C1=CC(=C(C=C1)CC(C)C[N+]2(CCCCC2)C)Br.[Br-]

Isomeric SMILES

CCCCC(C)(C)C1=CC(=C(C=C1)CC(C)C[N+]2(CCCCC2)C)Br.[Br-]

InChI

InChI=1S/C23H39BrN.BrH/c1-6-7-13-23(3,4)21-12-11-20(22(24)17-21)16-19(2)18-25(5)14-9-8-10-15-25;/h11-12,17,19H,6-10,13-16,18H2,1-5H3;1H/q+1;/p-1