2-[4-(2-methylpropyl)phenyl]propanoate; 2-pyrrolidin-1-ium-1-ylethanol

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]propanoate; 2-pyrrolidin-1-ium-1-ylethanol Openeye Name: 2-(4-isobutylphenyl)propanoate; 2-pyrrolidin-1-ium-1-ylethanol CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoate; 2-(1-pyrrolidin-1-iumyl)ethanol IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoate; 2-pyrrolidin-1-ium-1-ylethanol Traditional Name: 2-(4-isobutylphenyl)propionate; 2-pyrrolidin-1-ium-1-ylethanol Formula: C19H31NO3 MolecularWeight: 321.45434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].C1CC[NH+](C1)CCO

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].C1CC[NH+](C1)CCO

InChI

InChI=1S/C13H18O2.C6H13NO/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;8-6-5-7-3-1-2-4-7/h4-7,9-10H,8H2,1-3H3,(H,14,15);8H,1-6H2