[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C21H23N2O5+ MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H22N2O5/c24-21(16-2-4-17-20(12-16)26-10-9-25-17)23-7-5-22(6-8-23)13-15-1-3-18-19(11-15)28-14-27-18/h1-4,11-12H,5-10,13-14H2/p+1