5-methyl-2-[4-[[4-(piperidin-1-ium-1-ylmethyl)-1,2,3-triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-1-ium-4-amine

Systemtic Name: 5-methyl-2-[4-[[4-(piperidin-1-ium-1-ylmethyl)-1,2,3-triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-1-ium-4-amine Openeye Name: 5-methyl-2-[4-[[4-(piperidin-1-ium-1-ylmethyl)triazol-1-yl]methyl]-1-piperidyl]pyrimidin-1-ium-4-amine CAS Name: 5-methyl-2-[4-[[4-(1-piperidin-1-iumylmethyl)-1-triazolyl]methyl]-1-piperidinyl]-4-pyrimidin-1-iumamine IUPAC Name: 5-methyl-2-[4-[[4-(piperidin-1-ium-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-1-ium-4-amine Traditional Name: [5-methyl-2-[4-[[4-(piperidin-1-ium-1-ylmethyl)triazol-1-yl]methyl]piperidino]pyrimidin-1-ium-4-yl]amine Formula: C19H32N8+2 MolecularWeight: 372.51098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N=C1N)N2CCC(CC2)CN3C=C(N=N3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=C[NH+]=C(N=C1N)N2CCC(CC2)CN3C=C(N=N3)C[NH+]4CCCCC4

InChI

InChI=1S/C19H30N8/c1-15-11-21-19(22-18(15)20)26-9-5-16(6-10-26)12-27-14-17(23-24-27)13-25-7-3-2-4-8-25/h11,14,16H,2-10,12-13H2,1H3,(H2,20,21,22)/p+2