2-[(2S,3R)-1-(phenylmethyl)-2-propyl-piperidin-1-ium-3-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(2S,3R)-1-(phenylmethyl)-2-propyl-piperidin-1-ium-3-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[(2S,3R)-1-benzyl-2-propyl-piperidin-1-ium-3-yl]-N-isopropyl-acetamide CAS Name: 2-[(2S,3R)-1-(phenylmethyl)-2-propyl-3-piperidin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[(2S,3R)-1-benzyl-2-propylpiperidin-1-ium-3-yl]-N-propan-2-ylacetamide Traditional Name: 2-[(2S,3R)-1-benzyl-2-propyl-piperidin-1-ium-3-yl]-N-isopropyl-acetamide Formula: C20H33N2O+ MolecularWeight: 317.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(CCC[NH+]1CC2=CC=CC=C2)CC(=O)NC(C)C

Isomeric SMILES

CCC[C@H]1[C@H](CCC[NH+]1CC2=CC=CC=C2)CC(=O)NC(C)C

InChI

InChI=1S/C20H32N2O/c1-4-9-19-18(14-20(23)21-16(2)3)12-8-13-22(19)15-17-10-6-5-7-11-17/h5-7,10-11,16,18-19H,4,8-9,12-15H2,1-3H3,(H,21,23)/p+1/t18-,19+/m1/s1