4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-morpholino-1,3,5-triazin-2-amine CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-6-(4-morpholinyl)-1,3,5-triazin-2-amine IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine Traditional Name: [4-morpholino-6-[(4-piperonylpiperazin-1-ium-1-yl)methyl]-s-triazin-2-yl]amine Formula: C20H28N7O3+ MolecularWeight: 414.48142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NC(=N2)N)N3CCOCC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NC(=N2)N)N3CCOCC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H27N7O3/c21-19-22-18(23-20(24-19)27-7-9-28-10-8-27)13-26-5-3-25(4-6-26)12-15-1-2-16-17(11-15)30-14-29-16/h1-2,11H,3-10,12-14H2,(H2,21,22,23,24)/p+1