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

Systemtic Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-pyridin-3-yl-ethanamide Openeye Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-(3-pyridyl)acetamide CAS Name: N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-2-(3-pyridinyl)acetamide IUPAC Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-pyridin-3-ylacetamide Traditional Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-(3-pyridyl)acetamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CC3=CN=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CC3=CN=CC=C3

InChI

InChI=1S/C21H27N3O/c25-21(15-19-9-4-12-22-16-19)23-20-11-6-14-24(17-20)13-5-10-18-7-2-1-3-8-18/h1-4,7-9,12,16,20H,5-6,10-11,13-15,17H2,(H,23,25)/p+1/t20-/m0/s1