methyl 2-[1,4-bis(phenylmethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[1,4-bis(phenylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-(1,4-dibenzylpiperazin-1-ium-1-yl)acetate CAS Name: 2-[1,4-bis(phenylmethyl)-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-(1,4-dibenzylpiperazin-1-ium-1-yl)acetate Traditional Name: 2-(1,4-dibenzylpiperazin-1-ium-1-yl)acetic acid methyl ester Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1(CCN(CC1)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C[N+]1(CCN(CC1)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

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