3-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Openeye Name: 3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide CAS Name: 3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Traditional Name: 3-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propionamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCC3=NNC(=O)CC3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCC3=NNC(=O)CC3

InChI

InChI=1S/C20H28N4O2/c25-19(10-8-17-9-11-20(26)23-22-17)21-18-7-4-13-24(15-18)14-12-16-5-2-1-3-6-16/h1-3,5-6,18H,4,7-15H2,(H,21,25)(H,23,26)/p+1/t18-/m0/s1