4-[[cyclopropyl(methyl)azaniumyl]methyl]benzoate

Systemtic Name: 4-[[cyclopropyl(methyl)azaniumyl]methyl]benzoate Openeye Name: 4-[[cyclopropyl(methyl)ammonio]methyl]benzoate CAS Name: 4-[[cyclopropyl(methyl)ammonio]methyl]benzoate IUPAC Name: 4-[[cyclopropyl(methyl)azaniumyl]methyl]benzoate Traditional Name: 4-[[cyclopropyl(methyl)ammonio]methyl]benzoate Formula: C12H15NO2 MolecularWeight: 205.253

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C(=O)[O-])C2CC2

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C(=O)[O-])C2CC2

InChI

InChI=1S/C12H15NO2/c1-13(11-6-7-11)8-9-2-4-10(5-3-9)12(14)15/h2-5,11H,6-8H2,1H3,(H,14,15)