methyl (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanoate

Systemtic Name: methyl (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanoate Openeye Name: methyl (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-acetate CAS Name: (2R)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetate Traditional Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-acetic acid methyl ester Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)[C@H](C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H24N2O3/c1-24-18-10-6-9-17(15-18)21-11-13-22(14-12-21)19(20(23)25-2)16-7-4-3-5-8-16/h3-10,15,19H,11-14H2,1-2H3/p+1/t19-/m1/s1