methyl (2R)-2-phenyl-2-piperazin-4-ium-1-yl-ethanoate

Systemtic Name: methyl (2R)-2-phenyl-2-piperazin-4-ium-1-yl-ethanoate Openeye Name: methyl (2R)-2-phenyl-2-piperazin-4-ium-1-yl-acetate CAS Name: (2R)-2-phenyl-2-(1-piperazin-4-iumyl)acetic acid methyl ester IUPAC Name: methyl (2R)-2-phenyl-2-piperazin-4-ium-1-ylacetate Traditional Name: (2R)-2-phenyl-2-piperazin-4-ium-1-yl-acetic acid methyl ester Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)N2CC[NH2+]CC2

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1)N2CC[NH2+]CC2

InChI

InChI=1S/C13H18N2O2/c1-17-13(16)12(11-5-3-2-4-6-11)15-9-7-14-8-10-15/h2-6,12,14H,7-10H2,1H3/p+1/t12-/m1/s1