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

Systemtic Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[[(3R)-pyrrolidin-1-ium-3-yl]methyl]pyridazin-3-one Openeye Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[[(3R)-pyrrolidin-1-ium-3-yl]methyl]pyridazin-3-one CAS Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[[(3R)-3-pyrrolidin-1-iumyl]methyl]-3-pyridazinone IUPAC Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[[(3R)-pyrrolidin-1-ium-3-yl]methyl]pyridazin-3-one Traditional Name: 5-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[[(3R)-pyrrolidin-1-ium-3-yl]methyl]pyridazin-3-one Formula: C15H27N5O+2 MolecularWeight: 293.40778

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CC3CC[NH2+]C3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)C[C@@H]3CC[NH2+]C3

InChI

InChI=1S/C15H25N5O/c1-18-5-2-6-19(8-7-18)14-9-15(21)20(17-11-14)12-13-3-4-16-10-13/h9,11,13,16H,2-8,10,12H2,1H3/p+2/t13-/m1/s1