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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CN3C=CC=N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CN3C=CC=N3

InChI

InChI=1S/C19H26N4O/c24-19(16-23-14-6-11-20-23)21-18-10-5-13-22(15-18)12-4-9-17-7-2-1-3-8-17/h1-3,6-8,11,14,18H,4-5,9-10,12-13,15-16H2,(H,21,24)/p+1/t18-/m0/s1