N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]-2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-ethanamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]-2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-ethanamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-acetamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]-2-[[6-(1-pyrrolidinyl)-3-pyridazinyl]oxy]acetamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxyacetamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-2-(6-pyrrolidinopyridazin-3-yl)oxy-acetamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(C=C2)OCC(=O)NC3CCC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NN=C(C=C2)OCC(=O)N[C@H]3CCC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2/c28-21(17-29-22-11-10-20(24-25-22)27-13-4-5-14-27)23-19-9-6-12-26(16-19)15-18-7-2-1-3-8-18/h1-3,7-8,10-11,19H,4-6,9,12-17H2,(H,23,28)/p+1/t19-/m0/s1