2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methoxy-phenoxy]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methoxy-phenoxy]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methoxy-phenoxy]-1-morpholino-ethanone CAS Name: 2-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-methoxyphenoxy]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone Traditional Name: 2-[2-methoxy-4-(4-piperonylpiperazin-4-ium-1-carbonyl)phenoxy]-1-morpholino-ethanone Formula: C26H32N3O7+ MolecularWeight: 498.54818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OCC(=O)N5CCOCC5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OCC(=O)N5CCOCC5

InChI

InChI=1S/C26H31N3O7/c1-32-23-15-20(3-5-21(23)34-17-25(30)28-10-12-33-13-11-28)26(31)29-8-6-27(7-9-29)16-19-2-4-22-24(14-19)36-18-35-22/h2-5,14-15H,6-13,16-18H2,1H3/p+1