[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-benzofuran-2-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-benzofuran-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(benzofuran-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2-benzofuranyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(1-benzofuran-2-yl)methanone Traditional Name: benzofuran-2-yl-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C21H21N2O4+ MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C21H20N2O4/c24-21(20-12-16-3-1-2-4-17(16)27-20)23-9-7-22(8-10-23)13-15-5-6-18-19(11-15)26-14-25-18/h1-6,11-12H,7-10,13-14H2/p+1