(phenylmethyl) 2-[1-(phenylmethyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: (phenylmethyl) 2-[1-(phenylmethyl)piperazin-1-ium-1-yl]propanoate Openeye Name: benzyl 2-(1-benzylpiperazin-1-ium-1-yl)propanoate CAS Name: 2-[1-(phenylmethyl)-1-piperazin-1-iumyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1-benzylpiperazin-1-ium-1-yl)propanoate Traditional Name: 2-(1-benzylpiperazin-1-ium-1-yl)propionic acid benzyl ester Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)[N+]2(CCNCC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)[N+]2(CCNCC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N2O2/c1-18(21(24)25-17-20-10-6-3-7-11-20)23(14-12-22-13-15-23)16-19-8-4-2-5-9-19/h2-11,18,22H,12-17H2,1H3/q+1