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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-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-(2-cyanoethyl)acetamide Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC(=O)NCCC#N

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC(=O)NCCC#N

InChI

InChI=1S/C18H24N4O2/c19-5-1-6-20-18(23)14-22-9-7-21(8-10-22)13-15-2-3-17-16(12-15)4-11-24-17/h2-3,12H,1,4,6-11,13-14H2,(H,20,23)/p+1