[1-[2,5-dimethyl-4-(propanoylamino)phenyl]carbonylpiperidin-4-yl]-methyl-phenethyl-azanium chloride

Systemtic Name: [1-[2,5-dimethyl-4-(propanoylamino)phenyl]carbonylpiperidin-4-yl]-methyl-phenethyl-azanium chloride Openeye Name: [1-[2,5-dimethyl-4-(propanoylamino)benzoyl]-4-piperidyl]-methyl-phenethyl-ammonium chloride CAS Name: [1-[[2,5-dimethyl-4-(1-oxopropylamino)phenyl]-oxomethyl]-4-piperidinyl]-methyl-phenethylammonium chloride IUPAC Name: [1-[2,5-dimethyl-4-(propanoylamino)benzoyl]piperidin-4-yl]-methyl-phenethylazanium chloride Traditional Name: [1-(2,5-dimethyl-4-propionamido-benzoyl)-4-piperidyl]-methyl-phenethyl-ammonium chloride Formula: C26H36ClN3O2 MolecularWeight: 458.03594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O2.ClH/c1-5-25(30)27-24-18-19(2)23(17-20(24)3)26(31)29-15-12-22(13-16-29)28(4)14-11-21-9-7-6-8-10-21;/h6-10,17-18,22H,5,11-16H2,1-4H3,(H,27,30);1H