5-piperazin-4-ium-1-yl-2-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyridazin-3-one

Systemtic Name: 5-piperazin-4-ium-1-yl-2-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyridazin-3-one Openeye Name: 5-piperazin-4-ium-1-yl-2-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyridazin-3-one CAS Name: 5-(1-piperazin-4-iumyl)-2-[[(3S)-3-pyrrolidin-1-iumyl]methyl]-3-pyridazinone IUPAC Name: 5-piperazin-4-ium-1-yl-2-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyridazin-3-one Traditional Name: 5-piperazin-4-ium-1-yl-2-[[(3S)-pyrrolidin-1-ium-3-yl]methyl]pyridazin-3-one Formula: C13H23N5O+2 MolecularWeight: 265.35462

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC1CN2C(=O)C=C(C=N2)N3CC[NH2+]CC3

Isomeric SMILES

C1C[NH2+]C[C@H]1CN2C(=O)C=C(C=N2)N3CC[NH2+]CC3

InChI

InChI=1S/C13H21N5O/c19-13-7-12(17-5-3-14-4-6-17)9-16-18(13)10-11-1-2-15-8-11/h7,9,11,14-15H,1-6,8,10H2/p+2/t11-/m0/s1