4-[(2,4,4-trimethylpentan-2-ylazaniumyl)methyl]benzoate

Systemtic Name: 4-[(2,4,4-trimethylpentan-2-ylazaniumyl)methyl]benzoate Openeye Name: 4-[(1,1,3,3-tetramethylbutylammonio)methyl]benzoate CAS Name: 4-[(2,4,4-trimethylpentan-2-ylammonio)methyl]benzoate IUPAC Name: 4-[(2,4,4-trimethylpentan-2-ylazaniumyl)methyl]benzoate Traditional Name: 4-[(1,1,3,3-tetramethylbutylammonio)methyl]benzoate Formula: C16H25NO2 MolecularWeight: 263.3752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)[NH2+]CC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)[NH2+]CC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C16H25NO2/c1-15(2,3)11-16(4,5)17-10-12-6-8-13(9-7-12)14(18)19/h6-9,17H,10-11H2,1-5H3,(H,18,19)