1-[[1-[1-(2-methylpyridin-1-ium-4-yl)piperidin-4-yl]-1,2,3-triazol-4-yl]methyl]piperazin-4-ium

Systemtic Name: 1-[[1-[1-(2-methylpyridin-1-ium-4-yl)piperidin-4-yl]-1,2,3-triazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-[[1-[1-(2-methylpyridin-1-ium-4-yl)-4-piperidyl]triazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-[[1-[1-(2-methyl-4-pyridin-1-iumyl)-4-piperidinyl]-4-triazolyl]methyl]piperazin-4-ium IUPAC Name: 1-[[1-[1-(2-methylpyridin-1-ium-4-yl)piperidin-4-yl]triazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-[[1-[1-(2-methylpyridin-1-ium-4-yl)-4-piperidyl]triazol-4-yl]methyl]piperazin-4-ium Formula: C18H29N7+2 MolecularWeight: 343.46976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=CC(=C1)N2CCC(CC2)N3C=C(N=N3)CN4CC[NH2+]CC4

Isomeric SMILES

CC1=[NH+]C=CC(=C1)N2CCC(CC2)N3C=C(N=N3)CN4CC[NH2+]CC4

InChI

InChI=1S/C18H27N7/c1-15-12-18(2-5-20-15)24-8-3-17(4-9-24)25-14-16(21-22-25)13-23-10-6-19-7-11-23/h2,5,12,14,17,19H,3-4,6-11,13H2,1H3/p+2