5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[2-(1,2,4-triazol-1-yl)ethyl]pyridazin-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CCN3C=NC=N3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CCN3C=NC=N3

InChI

InChI=1S/C14H21N7O/c1-18-3-2-4-19(6-5-18)13-9-14(22)21(16-10-13)8-7-20-12-15-11-17-20/h9-12H,2-8H2,1H3/p+1