methyl-[1-[2-methyl-4-(propanoylamino)phenyl]carbonylpiperidin-4-yl]-phenethyl-azanium chloride

Systemtic Name: methyl-[1-[2-methyl-4-(propanoylamino)phenyl]carbonylpiperidin-4-yl]-phenethyl-azanium chloride Openeye Name: methyl-[1-[2-methyl-4-(propanoylamino)benzoyl]-4-piperidyl]-phenethyl-ammonium chloride CAS Name: methyl-[1-[[2-methyl-4-(1-oxopropylamino)phenyl]-oxomethyl]-4-piperidinyl]-phenethylammonium chloride IUPAC Name: methyl-[1-[2-methyl-4-(propanoylamino)benzoyl]piperidin-4-yl]-phenethylazanium chloride Traditional Name: methyl-[1-(2-methyl-4-propionamido-benzoyl)-4-piperidyl]-phenethyl-ammonium chloride Formula: C25H34ClN3O2 MolecularWeight: 444.00936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2.ClH/c1-4-24(29)26-21-10-11-23(19(2)18-21)25(30)28-16-13-22(14-17-28)27(3)15-12-20-8-6-5-7-9-20;/h5-11,18,22H,4,12-17H2,1-3H3,(H,26,29);1H