2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(4-ethylphenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(4-ethylphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(4-ethylphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(4-ethylphenyl)methyl]-N-methylacetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-ethylbenzyl)-N-methyl-acetamide Formula: C25H35N3O2+2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C25H33N3O2/c1-3-20-4-6-21(7-5-20)17-26(2)25(29)19-28-13-11-27(12-14-28)18-22-8-9-24-23(16-22)10-15-30-24/h4-9,16H,3,10-15,17-19H2,1-2H3/p+2