N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-propyl-pentanamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-propyl-pentanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-propyl-pentanamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-propylpentanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-propylpentanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-propyl-valeramide Formula: C20H33N2O+ MolecularWeight: 317.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCCC(CCC)C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2

InChI

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