(phenylmethyl) (3R)-3-methylpiperazin-4-ium-1-carboxylate

Systemtic Name: (phenylmethyl) (3R)-3-methylpiperazin-4-ium-1-carboxylate Openeye Name: benzyl (3R)-3-methylpiperazin-4-ium-1-carboxylate CAS Name: (3R)-3-methyl-1-piperazin-4-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-3-methylpiperazin-4-ium-1-carboxylate Traditional Name: (3R)-3-methylpiperazin-4-ium-1-carboxylic acid benzyl ester Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]1CN(CC[NH2+]1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H18N2O2/c1-11-9-15(8-7-14-11)13(16)17-10-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/p+1/t11-/m1/s1