1-[[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,2,3-triazol-4-yl]methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-[[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,2,3-triazol-4-yl]methyl]-1,4-diazepan-4-ium Openeye Name: 1-[[1-[(1-pyrimidin-2-yl-4-piperidyl)methyl]triazol-4-yl]methyl]-1,4-diazepan-4-ium CAS Name: 1-[[1-[[1-(2-pyrimidinyl)-4-piperidinyl]methyl]-4-triazolyl]methyl]-1,4-diazepan-4-ium IUPAC Name: 1-[[1-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methyl]-1,4-diazepan-4-ium Traditional Name: 1-[[1-[[1-(2-pyrimidyl)-4-piperidyl]methyl]triazol-4-yl]methyl]-1,4-diazepan-4-ium Formula: C18H29N8+ MolecularWeight: 357.47646

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)CC2=CN(N=N2)CC3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1C[NH2+]CCN(C1)CC2=CN(N=N2)CC3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H28N8/c1-6-20-18(21-7-1)25-10-3-16(4-11-25)13-26-15-17(22-23-26)14-24-9-2-5-19-8-12-24/h1,6-7,15-16,19H,2-5,8-14H2/p+1