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

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C20H25ClN4O2+2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CC(=O)NC4=C(N=CC=C4)Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CC(=O)NC4=C(N=CC=C4)Cl

InChI

InChI=1S/C20H23ClN4O2/c21-20-17(2-1-6-22-20)23-19(26)14-25-9-7-24(8-10-25)13-15-3-4-18-16(12-15)5-11-27-18/h1-4,6,12H,5,7-11,13-14H2,(H,23,26)/p+2