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

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-propyl-pentanamide chloride Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-propyl-pentanamide chloride CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-propylpentanamide chloride IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-propylpentanamide chloride Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-propyl-valeramide chloride Formula: C20H33ClN2O MolecularWeight: 352.94182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O.ClH/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);1H