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

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-(1-piperidyl)-1,3,5-triazin-2-amine CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-6-(1-piperidinyl)-1,3,5-triazin-2-amine IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine Traditional Name: [4-piperidino-6-[(4-piperonylpiperazin-1-ium-1-yl)methyl]-s-triazin-2-yl]amine Formula: C21H30N7O2+ MolecularWeight: 412.5086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C21H29N7O2/c22-20-23-19(24-21(25-20)28-6-2-1-3-7-28)14-27-10-8-26(9-11-27)13-16-4-5-17-18(12-16)30-15-29-17/h4-5,12H,1-3,6-11,13-15H2,(H2,22,23,24,25)/p+1