[1-[1-(2-azanylpyrimidin-1-ium-4-yl)piperidin-4-yl]-1,2,3-triazol-4-yl]methyl-cyclohexyl-methyl-azanium

Systemtic Name: [1-[1-(2-azanylpyrimidin-1-ium-4-yl)piperidin-4-yl]-1,2,3-triazol-4-yl]methyl-cyclohexyl-methyl-azanium Openeye Name: [1-[1-(2-aminopyrimidin-1-ium-4-yl)-4-piperidyl]triazol-4-yl]methyl-cyclohexyl-methyl-ammonium CAS Name: [1-[1-(2-amino-4-pyrimidin-1-iumyl)-4-piperidinyl]-4-triazolyl]methyl-cyclohexyl-methylammonium IUPAC Name: [1-[1-(2-aminopyrimidin-1-ium-4-yl)piperidin-4-yl]triazol-4-yl]methyl-cyclohexyl-methylazanium Traditional Name: [1-[1-(2-aminopyrimidin-1-ium-4-yl)-4-piperidyl]triazol-4-yl]methyl-cyclohexyl-methyl-ammonium Formula: C19H32N8+2 MolecularWeight: 372.51098

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=N1)C2CCN(CC2)C3=NC(=[NH+]C=C3)N)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CN(N=N1)C2CCN(CC2)C3=NC(=[NH+]C=C3)N)C4CCCCC4

InChI

InChI=1S/C19H30N8/c1-25(16-5-3-2-4-6-16)13-15-14-27(24-23-15)17-8-11-26(12-9-17)18-7-10-21-19(20)22-18/h7,10,14,16-17H,2-6,8-9,11-13H2,1H3,(H2,20,21,22)/p+2