1-[[1-(1-cyclobutylpiperidin-1-ium-4-yl)-1,2,3-triazol-4-yl]methyl]azepan-1-ium

Systemtic Name: 1-[[1-(1-cyclobutylpiperidin-1-ium-4-yl)-1,2,3-triazol-4-yl]methyl]azepan-1-ium Openeye Name: 1-[[1-(1-cyclobutylpiperidin-1-ium-4-yl)triazol-4-yl]methyl]azepan-1-ium CAS Name: 1-[[1-(1-cyclobutyl-4-piperidin-1-iumyl)-4-triazolyl]methyl]azepan-1-ium IUPAC Name: 1-[[1-(1-cyclobutylpiperidin-1-ium-4-yl)triazol-4-yl]methyl]azepan-1-ium Traditional Name: 1-[[1-(1-cyclobutylpiperidin-1-ium-4-yl)triazol-4-yl]methyl]azepan-1-ium Formula: C18H33N5+2 MolecularWeight: 319.48812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CN(N=N2)C3CC[NH+](CC3)C4CCC4

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CN(N=N2)C3CC[NH+](CC3)C4CCC4

InChI

InChI=1S/C18H31N5/c1-2-4-11-21(10-3-1)14-16-15-23(20-19-16)18-8-12-22(13-9-18)17-6-5-7-17/h15,17-18H,1-14H2/p+2