ethyl 2-[4-(2-ethoxy-2-oxidanylidene-1-phenyl-ethyl)piperazine-1,4-diium-1-yl]-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[4-(2-ethoxy-2-oxidanylidene-1-phenyl-ethyl)piperazine-1,4-diium-1-yl]-2-phenyl-ethanoate Openeye Name: ethyl 2-[4-(2-ethoxy-2-oxo-1-phenyl-ethyl)piperazine-1,4-diium-1-yl]-2-phenyl-acetate CAS Name: 2-[4-(2-ethoxy-2-oxo-1-phenylethyl)-1-piperazine-1,4-diiumyl]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-ethoxy-2-oxo-1-phenylethyl)piperazine-1,4-diium-1-yl]-2-phenylacetate Traditional Name: 2-[4-(2-ethoxy-2-keto-1-phenyl-ethyl)piperazine-1,4-diium-1-yl]-2-phenyl-acetic acid ethyl ester Formula: C24H32N2O4+2 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4/c1-3-29-23(27)21(19-11-7-5-8-12-19)25-15-17-26(18-16-25)22(24(28)30-4-2)20-13-9-6-10-14-20/h5-14,21-22H,3-4,15-18H2,1-2H3/p+2