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

Systemtic Name: 3-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 3-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 3-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 3-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 3-[[2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-methyl-benzamide Formula: C23H30N4O3+2 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3/c1-24-23(29)19-3-2-4-20(14-19)25-22(28)16-27-10-8-26(9-11-27)15-17-5-6-21-18(13-17)7-12-30-21/h2-6,13-14H,7-12,15-16H2,1H3,(H,24,29)(H,25,28)/p+2