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

Systemtic Name: [1-[3-chloranyl-4-(propanoylamino)phenyl]carbonylpiperidin-4-yl]-methyl-phenethyl-azanium chloride Openeye Name: [1-[3-chloro-4-(propanoylamino)benzoyl]-4-piperidyl]-methyl-phenethyl-ammonium chloride CAS Name: [1-[[3-chloro-4-(1-oxopropylamino)phenyl]-oxomethyl]-4-piperidinyl]-methyl-phenethylammonium chloride IUPAC Name: [1-[3-chloro-4-(propanoylamino)benzoyl]piperidin-4-yl]-methyl-phenethylazanium chloride Traditional Name: [1-(3-chloro-4-propionamido-benzoyl)-4-piperidyl]-methyl-phenethyl-ammonium chloride Formula: C24H31Cl2N3O2 MolecularWeight: 464.42784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN3O2.ClH/c1-3-23(29)26-22-10-9-19(17-21(22)25)24(30)28-15-12-20(13-16-28)27(2)14-11-18-7-5-4-6-8-18;/h4-10,17,20H,3,11-16H2,1-2H3,(H,26,29);1H