ethyl 4-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H34N4O4+2 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H32N4O4/c1-2-29-22(28)26-12-10-25(11-13-26)21(27)17-24-8-6-23(7-9-24)16-18-3-4-20-19(15-18)5-14-30-20/h3-4,15H,2,5-14,16-17H2,1H3/p+2