[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(furan-2-yl)methanone Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(2-furyl)methanone CAS Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazin-4-iumyl]-(2-furanyl)methanone IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(furan-2-yl)methanone Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-4-ium-1-yl]-(2-furyl)methanone Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=CO4

InChI

InChI=1S/C18H20N2O4/c21-18(16-2-1-9-22-16)20-7-5-19(6-8-20)13-14-3-4-15-17(12-14)24-11-10-23-15/h1-4,9,12H,5-8,10-11,13H2/p+1