2-[1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]propan-2-ylazanium

Systemtic Name: 2-[1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]propan-2-ylazanium Openeye Name: [1-methyl-1-[1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]ethyl]ammonium CAS Name: 2-[1-[1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-4-triazolyl]propan-2-ylammonium IUPAC Name: 2-[1-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]propan-2-ylazanium Traditional Name: [1-methyl-1-[1-[1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]triazol-4-yl]ethyl]ammonium Formula: C19H28N8+2 MolecularWeight: 368.47922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC=CN3C4=NC=CC=N4)[NH3+]

Isomeric SMILES

CC(C)(C1=CN(N=N1)C2CC[NH+](CC2)CC3=CC=CN3C4=NC=CC=N4)[NH3+]

InChI

InChI=1S/C19H26N8/c1-19(2,20)17-14-27(24-23-17)15-6-11-25(12-7-15)13-16-5-3-10-26(16)18-21-8-4-9-22-18/h3-5,8-10,14-15H,6-7,11-13,20H2,1-2H3/p+2