2-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(3-chloranyl-6-oxidanylidene-pyridazin-1-yl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(3-chloro-6-oxo-pyridazin-1-yl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide CAS Name: 2-(3-chloro-6-oxo-1-pyridazinyl)-N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(3-chloro-6-oxopyridazin-1-yl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Traditional Name: 2-(3-chloro-6-keto-pyridazin-1-yl)-N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Formula: C20H26ClN4O2+ MolecularWeight: 389.89904

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CN3C(=O)C=CC(=N3)Cl

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)CN3C(=O)C=CC(=N3)Cl

InChI

InChI=1S/C20H25ClN4O2/c1-23(20(27)15-25-19(26)10-9-18(21)22-25)17-8-5-12-24(14-17)13-11-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-15H2,1H3/p+1/t17-/m0/s1