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

Systemtic Name: methyl-[1-[3-nitro-4-(propanoylamino)phenyl]carbonylpiperidin-4-yl]-phenethyl-azanium chloride Openeye Name: methyl-[1-[3-nitro-4-(propanoylamino)benzoyl]-4-piperidyl]-phenethyl-ammonium chloride CAS Name: methyl-[1-[[3-nitro-4-(1-oxopropylamino)phenyl]-oxomethyl]-4-piperidinyl]-phenethylammonium chloride IUPAC Name: methyl-[1-[3-nitro-4-(propanoylamino)benzoyl]piperidin-4-yl]-phenethylazanium chloride Traditional Name: methyl-[1-(3-nitro-4-propionamido-benzoyl)-4-piperidyl]-phenethyl-ammonium chloride Formula: C24H31ClN4O4 MolecularWeight: 474.98034

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)[N+](=O)[O-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O4.ClH/c1-3-23(29)25-21-10-9-19(17-22(21)28(31)32)24(30)27-15-12-20(13-16-27)26(2)14-11-18-7-5-4-6-8-18;/h4-10,17,20H,3,11-16H2,1-2H3,(H,25,29);1H