ethyl (2S)-2-phenyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoate

Systemtic Name: ethyl (2S)-2-phenyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoate Openeye Name: ethyl (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-2-phenyl-acetate CAS Name: (2S)-2-phenyl-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-2-phenylacetate Traditional Name: (2S)-2-(4-benzylpiperazine-1,4-diium-1-yl)-2-phenyl-acetic acid ethyl ester Formula: C21H28N2O2+2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-2-25-21(24)20(19-11-7-4-8-12-19)23-15-13-22(14-16-23)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3/p+2/t20-/m0/s1