(1-methylpyrrolidin-1-ium-1-yl)methyl 1-phenylcyclopropane-1-carboxylate

Systemtic Name: (1-methylpyrrolidin-1-ium-1-yl)methyl 1-phenylcyclopropane-1-carboxylate Openeye Name: (1-methylpyrrolidin-1-ium-1-yl)methyl 1-phenylcyclopropanecarboxylate CAS Name: 1-phenyl-1-cyclopropanecarboxylic acid (1-methyl-1-pyrrolidin-1-iumyl)methyl ester IUPAC Name: (1-methylpyrrolidin-1-ium-1-yl)methyl 1-phenylcyclopropane-1-carboxylate Traditional Name: 1-phenylcyclopropanecarboxylic acid (1-methylpyrrolidin-1-ium-1-yl)methyl ester Formula: C16H22NO2+ MolecularWeight: 260.35138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)COC(=O)C2(CC2)C3=CC=CC=C3

Isomeric SMILES

C[N+]1(CCCC1)COC(=O)C2(CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H22NO2/c1-17(11-5-6-12-17)13-19-15(18)16(9-10-16)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13H2,1H3/q+1