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

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-pyrazol-1-yl-ethanamide Openeye Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-pyrazol-1-yl-acetamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-2-(1-pyrazolyl)acetamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-pyrazol-1-ylacetamide Traditional Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-pyrazol-1-yl-acetamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CN3C=CC=N3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CN3C=CC=N3

InChI

InChI=1S/C20H28N4O/c1-22(20(25)17-24-15-7-12-21-24)19-11-6-14-23(16-19)13-5-10-18-8-3-2-4-9-18/h2-4,7-9,12,15,19H,5-6,10-11,13-14,16-17H2,1H3/p+1/t19-/m0/s1