[1-[3-chloranyl-5-methyl-4-(propanoylamino)phenyl]carbonylpiperidin-4-yl]-methyl-phenethyl-azanium chloride

Systemtic Name: [1-[3-chloranyl-5-methyl-4-(propanoylamino)phenyl]carbonylpiperidin-4-yl]-methyl-phenethyl-azanium chloride Openeye Name: [1-[3-chloro-5-methyl-4-(propanoylamino)benzoyl]-4-piperidyl]-methyl-phenethyl-ammonium chloride CAS Name: [1-[[3-chloro-5-methyl-4-(1-oxopropylamino)phenyl]-oxomethyl]-4-piperidinyl]-methyl-phenethylammonium chloride IUPAC Name: [1-[3-chloro-5-methyl-4-(propanoylamino)benzoyl]piperidin-4-yl]-methyl-phenethylazanium chloride Traditional Name: [1-(3-chloro-5-methyl-4-propionamido-benzoyl)-4-piperidyl]-methyl-phenethyl-ammonium chloride Formula: C25H33Cl2N3O2 MolecularWeight: 478.45442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1Cl)C(=O)N2CCC(CC2)[NH+](C)CCC3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1Cl)C(=O)N2CCC(CC2)[NH+](C)CCC3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C25H32ClN3O2.ClH/c1-4-23(30)27-24-18(2)16-20(17-22(24)26)25(31)29-14-11-21(12-15-29)28(3)13-10-19-8-6-5-7-9-19;/h5-9,16-17,21H,4,10-15H2,1-3H3,(H,27,30);1H