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

Systemtic Name: N-methyl-3-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-methyl-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Traditional Name: 3-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propionamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CCC3=NNC(=O)CC3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CCC3=NNC(=O)CC3

InChI

InChI=1S/C22H32N4O2/c1-25(22(28)14-12-19-11-13-21(27)24-23-19)20-10-6-16-26(17-20)15-5-9-18-7-3-2-4-8-18/h2-4,7-8,20H,5-6,9-17H2,1H3,(H,24,27)/p+1/t20-/m0/s1