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

Systemtic Name: 2-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-N-(furan-2-ylmethyl)benzamide Openeye Name: 2-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2-furylmethyl)benzamide CAS Name: 2-[[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-(2-furanylmethyl)benzamide IUPAC Name: 2-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide Traditional Name: 2-[[2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2-furfuryl)benzamide Formula: C27H31N4O4+ MolecularWeight: 475.55944

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4C(=O)NCC5=CC=CO5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4C(=O)NCC5=CC=CO5

InChI

InChI=1S/C27H30N4O4/c32-26(29-24-6-2-1-5-23(24)27(33)28-17-22-4-3-14-34-22)19-31-12-10-30(11-13-31)18-20-7-8-25-21(16-20)9-15-35-25/h1-8,14,16H,9-13,15,17-19H2,(H,28,33)(H,29,32)/p+1