6-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]carbamoyl]pyridazin-3-olate

Systemtic Name: 6-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]carbamoyl]pyridazin-3-olate Openeye Name: 6-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]carbamoyl]pyridazin-3-olate CAS Name: 6-[[[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]amino]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]carbamoyl]pyridazin-3-olate Traditional Name: 6-[[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]carbamoyl]pyridazin-3-olate Formula: C17H26N4O2 MolecularWeight: 318.41394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=NN=C(C=C3)[O-]

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=NN=C(C=C3)[O-]

InChI

InChI=1S/C17H26N4O2/c22-16-10-9-15(19-20-16)17(23)18-13-6-5-11-21(12-13)14-7-3-1-2-4-8-14/h9-10,13-14H,1-8,11-12H2,(H,18,23)(H,20,22)/t13-/m0/s1