N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-methyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-1-methyl-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-6-keto-1-methyl-pyridazine-3-carboxamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)NC2CCC[NH+](C2)CC3CCCCC3

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)N[C@H]2CCC[NH+](C2)CC3CCCCC3

InChI

InChI=1S/C18H28N4O2/c1-21-17(23)10-9-16(20-21)18(24)19-15-8-5-11-22(13-15)12-14-6-3-2-4-7-14/h9-10,14-15H,2-8,11-13H2,1H3,(H,19,24)/p+1/t15-/m0/s1