N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-piperonyl-acetamide Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H27N3O4/c27-23(24-13-17-1-4-21-22(12-17)30-16-29-21)15-26-8-6-25(7-9-26)14-18-2-3-20-19(11-18)5-10-28-20/h1-4,11-12H,5-10,13-16H2,(H,24,27)/p+1