2-[4-(2-methylpropyl)phenyl]propanoate; 1-methylpyridin-1-ium-3-carboxamide

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]propanoate; 1-methylpyridin-1-ium-3-carboxamide Openeye Name: 2-(4-isobutylphenyl)propanoate; 1-methylpyridin-1-ium-3-carboxamide CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoate; 1-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoate; 1-methylpyridin-1-ium-3-carboxamide Traditional Name: 2-(4-isobutylphenyl)propionate; 1-methylpyridin-1-ium-3-carboxamide Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].C[N+]1=CC=CC(=C1)C(=O)N

InChI

InChI=1S/C13H18O2.C7H8N2O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;1-9-4-2-3-6(5-9)7(8)10/h4-7,9-10H,8H2,1-3H3,(H,14,15);2-5H,1H3,(H-,8,10)