6-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]carbamoyl]pyridazin-3-olate

Systemtic Name: 6-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]carbamoyl]pyridazin-3-olate Openeye Name: 6-[[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]carbamoyl]pyridazin-3-olate CAS Name: 6-[[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]amino]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]carbamoyl]pyridazin-3-olate Traditional Name: 6-[[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]carbamoyl]pyridazin-3-olate Formula: C19H22N4O2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)C4=NN=C(C=C4)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)C4=NN=C(C=C4)[O-]

InChI

InChI=1S/C19H22N4O2/c24-18-8-7-17(21-22-18)19(25)20-15-6-3-9-23(12-15)16-10-13-4-1-2-5-14(13)11-16/h1-2,4-5,7-8,15-16H,3,6,9-12H2,(H,20,25)(H,22,24)/t15-/m0/s1