[1-[2,3-dimethyl-4-(propanoylamino)phenyl]carbonylpiperidin-4-yl]-methyl-phenethyl-azanium chloride

Systemtic Name: [1-[2,3-dimethyl-4-(propanoylamino)phenyl]carbonylpiperidin-4-yl]-methyl-phenethyl-azanium chloride Openeye Name: [1-[2,3-dimethyl-4-(propanoylamino)benzoyl]-4-piperidyl]-methyl-phenethyl-ammonium chloride CAS Name: [1-[[2,3-dimethyl-4-(1-oxopropylamino)phenyl]-oxomethyl]-4-piperidinyl]-methyl-phenethylammonium chloride IUPAC Name: [1-[2,3-dimethyl-4-(propanoylamino)benzoyl]piperidin-4-yl]-methyl-phenethylazanium chloride Traditional Name: [1-(2,3-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(=O)N2CCC(CC2)[NH+](C)CCC3=CC=CC=C3)C)C.[Cl-]

Isomeric SMILES

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

InChI

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