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

Systemtic Name: 1-[3-[2-bromanyl-4-(2-methylhexan-2-yl)phenyl]-2-methyl-propyl]-1-methyl-piperidin-1-ium Openeye Name: 1-[3-[2-bromo-4-(1,1-dimethylpentyl)phenyl]-2-methyl-propyl]-1-methyl-piperidin-1-ium CAS Name: 1-[3-[2-bromo-4-(2-methylhexan-2-yl)phenyl]-2-methylpropyl]-1-methylpiperidin-1-ium IUPAC Name: 1-[3-[2-bromo-4-(2-methylhexan-2-yl)phenyl]-2-methylpropyl]-1-methylpiperidin-1-ium Traditional Name: 1-[3-[2-bromo-4-(1,1-dimethylpentyl)phenyl]-2-methyl-propyl]-1-methyl-piperidin-1-ium Formula: C23H39BrN+ MolecularWeight: 409.46646

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H39BrN/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/q+1