1-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]-1-oxidanidyl-piperidin-1-ium

Systemtic Name: 1-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]-1-oxidanidyl-piperidin-1-ium Openeye Name: 1-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methyl-propyl]-1-oxido-piperidin-1-ium CAS Name: 1-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]-1-oxidopiperidin-1-ium IUPAC Name: 1-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]-1-oxidopiperidin-1-ium Traditional Name: 1-[3-(4-tert-amylphenyl)-2-methyl-propyl]-1-oxido-piperidin-1-ium Formula: C20H33NO MolecularWeight: 303.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)CC(C)C[N+]2(CCCCC2)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)CC(C)C[N+]2(CCCCC2)[O-]

InChI

InChI=1S/C20H33NO/c1-5-20(3,4)19-11-9-18(10-12-19)15-17(2)16-21(22)13-7-6-8-14-21/h9-12,17H,5-8,13-16H2,1-4H3