N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C20H24ClN4O3+ MolecularWeight: 403.88256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2Cl)OCCO3)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2Cl)OCCO3)CC4=CC=CC=N4

InChI

InChI=1S/C20H23ClN4O3/c21-16-11-18-19(28-10-9-27-18)12-17(16)23-20(26)14-25-7-5-24(6-8-25)13-15-3-1-2-4-22-15/h1-4,11-12H,5-10,13-14H2,(H,23,26)/p+1