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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-chloranyl-1-benzofuran-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-chlorobenzofuran-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(5-chloro-2-benzofuranyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-chloro-1-benzofuran-2-yl)methanone Traditional Name: (5-chlorobenzofuran-2-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C21H20ClN2O4+ MolecularWeight: 399.8475

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C21H19ClN2O4/c22-16-2-4-17-15(10-16)11-20(28-17)21(25)24-7-5-23(6-8-24)12-14-1-3-18-19(9-14)27-13-26-18/h1-4,9-11H,5-8,12-13H2/p+1