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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(furan-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-furyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2-furanyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(furan-2-yl)methanone Traditional Name: 2-furyl-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C17H19N2O4+ MolecularWeight: 315.34376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CO4

InChI

InChI=1S/C17H18N2O4/c20-17(15-2-1-9-21-15)19-7-5-18(6-8-19)11-13-3-4-14-16(10-13)23-12-22-14/h1-4,9-10H,5-8,11-12H2/p+1