[1-[3-methoxy-4-(propanoylamino)phenyl]carbonylpiperidin-4-yl]-methyl-phenethyl-azanium chloride

Systemtic Name: [1-[3-methoxy-4-(propanoylamino)phenyl]carbonylpiperidin-4-yl]-methyl-phenethyl-azanium chloride Openeye Name: [1-[3-methoxy-4-(propanoylamino)benzoyl]-4-piperidyl]-methyl-phenethyl-ammonium chloride CAS Name: [1-[[3-methoxy-4-(1-oxopropylamino)phenyl]-oxomethyl]-4-piperidinyl]-methyl-phenethylammonium chloride IUPAC Name: [1-[3-methoxy-4-(propanoylamino)benzoyl]piperidin-4-yl]-methyl-phenethylazanium chloride Traditional Name: [1-(3-methoxy-4-propionamido-benzoyl)-4-piperidyl]-methyl-phenethyl-ammonium chloride Formula: C25H34ClN3O3 MolecularWeight: 460.00876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)C(=O)N2CCC(CC2)[NH+](C)CCC3=CC=CC=C3)OC.[Cl-]

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)C(=O)N2CCC(CC2)[NH+](C)CCC3=CC=CC=C3)OC.[Cl-]

InChI

InChI=1S/C25H33N3O3.ClH/c1-4-24(29)26-22-11-10-20(18-23(22)31-3)25(30)28-16-13-21(14-17-28)27(2)15-12-19-8-6-5-7-9-19;/h5-11,18,21H,4,12-17H2,1-3H3,(H,26,29);1H