N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyrazol-1-yl-ethanamide

Systemtic Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyrazol-1-yl-ethanamide Openeye Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyrazol-1-yl-acetamide CAS Name: N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-(1-pyrazolyl)acetamide IUPAC Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyrazol-1-ylacetamide Traditional Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyrazol-1-yl-acetamide Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O/c1-21(19(24)16-23-13-6-11-20-23)18-9-5-12-22(15-18)14-10-17-7-3-2-4-8-17/h2-4,6-8,11,13,18H,5,9-10,12,14-16H2,1H3/p+1/t18-/m0/s1