2-methyl-5-[4-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 2-methyl-5-[4-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[(1R)-1-methyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-[(1R)-1-methyl-2-(1,2,4-triazol-1-yl)ethyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C14H22N7O+ MolecularWeight: 304.37078

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC=N1)[NH+]2CCN(CC2)C3=CC(=O)N(N=C3)C

Isomeric SMILES

C[C@H](CN1C=NC=N1)[NH+]2CCN(CC2)C3=CC(=O)N(N=C3)C

InChI

InChI=1S/C14H21N7O/c1-12(9-21-11-15-10-17-21)19-3-5-20(6-4-19)13-7-14(22)18(2)16-8-13/h7-8,10-12H,3-6,9H2,1-2H3/p+1/t12-/m1/s1