(phenylmethyl) 4-methanidylpiperazin-4-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 4-methanidylpiperazin-4-ium-1-carboxylate Openeye Name: benzyl 4-methanidylpiperazin-4-ium-1-carboxylate CAS Name: 4-methanidyl-1-piperazin-4-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methanidylpiperazin-4-ium-1-carboxylate Traditional Name: 4-methanidylpiperazin-4-ium-1-carboxylic acid benzyl ester Formula: C13H18N2O2 MolecularWeight: 234.29422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH2-][NH+]1CCN(CC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

[CH2-][NH+]1CCN(CC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H18N2O2/c1-14-7-9-15(10-8-14)13(16)17-11-12-5-3-2-4-6-12/h2-6,14H,1,7-11H2