4-piperidin-1-yl-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazin-2-amine

Systemtic Name: 4-piperidin-1-yl-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazin-2-amine Openeye Name: 4-(1-piperidyl)-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazin-2-amine CAS Name: 4-(1-piperidinyl)-6-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,5-triazin-2-amine IUPAC Name: 4-piperidin-1-yl-6-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazin-2-amine Traditional Name: [4-piperidino-6-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-s-triazin-2-yl]amine Formula: C17H26N9+ MolecularWeight: 356.44864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4)N

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4)N

InChI

InChI=1S/C17H25N9/c18-15-21-14(22-17(23-15)25-7-2-1-3-8-25)13-24-9-11-26(12-10-24)16-19-5-4-6-20-16/h4-6H,1-3,7-13H2,(H2,18,21,22,23)/p+1