4-tert-butylbenzoate; trimethyl(2-oxidanylpropyl)azanium

Systemtic Name: 4-tert-butylbenzoate; trimethyl(2-oxidanylpropyl)azanium Openeye Name: 4-tert-butylbenzoate; 2-hydroxypropyl(trimethyl)ammonium CAS Name: 4-tert-butylbenzoate; 2-hydroxypropyl(trimethyl)ammonium IUPAC Name: 4-tert-butylbenzoate; 2-hydroxypropyl(trimethyl)azanium Traditional Name: 4-tert-butylbenzoate; 2-hydroxypropyl(trimethyl)ammonium Formula: C17H29NO3 MolecularWeight: 295.41706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](C)(C)C)O.CC(C)(C)C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C[N+](C)(C)C)O.CC(C)(C)C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C11H14O2.C6H16NO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-6(8)5-7(2,3)4/h4-7H,1-3H3,(H,12,13);6,8H,5H2,1-4H3/q;+1/p-1