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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-[(5-methyl-2-furyl)methyl]acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-methyl-N-[(5-methyl-2-furanyl)methyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-[(5-methyl-2-furyl)methyl]acetamide Formula: C22H31N3O3+2 MolecularWeight: 385.49984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC=C(O1)CN(C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H29N3O3/c1-17-3-5-20(28-17)15-23(2)22(26)16-25-10-8-24(9-11-25)14-18-4-6-21-19(13-18)7-12-27-21/h3-6,13H,7-12,14-16H2,1-2H3/p+2