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

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-methyl-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]acetamide Formula: C22H31N3O2S+2 MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=C(SC=C1)CN(C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H29N3O2S/c1-17-6-12-28-21(17)15-23(2)22(26)16-25-9-7-24(8-10-25)14-18-3-4-20-19(13-18)5-11-27-20/h3-4,6,12-13H,5,7-11,14-16H2,1-2H3/p+2