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

Systemtic Name: [1-[3,5-dimethyl-4-(propanoylamino)phenyl]carbonylpiperidin-4-yl]-methyl-phenethyl-azanium Openeye Name: [1-[3,5-dimethyl-4-(propanoylamino)benzoyl]-4-piperidyl]-methyl-phenethyl-ammonium CAS Name: [1-[[3,5-dimethyl-4-(1-oxopropylamino)phenyl]-oxomethyl]-4-piperidinyl]-methyl-phenethylammonium IUPAC Name: [1-[3,5-dimethyl-4-(propanoylamino)benzoyl]piperidin-4-yl]-methyl-phenethylazanium Traditional Name: [1-(3,5-dimethyl-4-propionamido-benzoyl)-4-piperidyl]-methyl-phenethyl-ammonium Formula: C26H36N3O2+ MolecularWeight: 422.58294

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1C)C(=O)N2CCC(CC2)[NH+](C)CCC3=CC=CC=C3)C

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1C)C(=O)N2CCC(CC2)[NH+](C)CCC3=CC=CC=C3)C

InChI

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