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

Systemtic Name: 4-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-N-methyl-benzamide Openeye Name: 4-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide CAS Name: 4-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-methylbenzamide IUPAC Name: 4-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-methylbenzamide Traditional Name: 4-[[2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-methyl-benzamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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