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

Systemtic Name: 3-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]-N-ethyl-benzamide Openeye Name: 3-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-ethyl-benzamide CAS Name: 3-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-N-ethylbenzamide IUPAC Name: 3-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-ethylbenzamide Traditional Name: 3-[[2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-ethyl-benzamide Formula: C24H32N4O3+2 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O3/c1-2-25-24(30)20-4-3-5-21(15-20)26-23(29)17-28-11-9-27(10-12-28)16-18-6-7-22-19(14-18)8-13-31-22/h3-7,14-15H,2,8-13,16-17H2,1H3,(H,25,30)(H,26,29)/p+2