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

Systemtic Name: methyl-[1-[3-methyl-5-nitro-4-(propanoylamino)phenyl]carbonylpiperidin-4-yl]-phenethyl-azanium chloride Openeye Name: methyl-[1-[3-methyl-5-nitro-4-(propanoylamino)benzoyl]-4-piperidyl]-phenethyl-ammonium chloride CAS Name: methyl-[1-[[3-methyl-5-nitro-4-(1-oxopropylamino)phenyl]-oxomethyl]-4-piperidinyl]-phenethylammonium chloride IUPAC Name: methyl-[1-[3-methyl-5-nitro-4-(propanoylamino)benzoyl]piperidin-4-yl]-phenethylazanium chloride Traditional Name: methyl-[1-(3-methyl-5-nitro-4-propionamido-benzoyl)-4-piperidyl]-phenethyl-ammonium chloride Formula: C25H33ClN4O4 MolecularWeight: 489.00692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4.ClH/c1-4-23(30)26-24-18(2)16-20(17-22(24)29(32)33)25(31)28-14-11-21(12-15-28)27(3)13-10-19-8-6-5-7-9-19;/h5-9,16-17,21H,4,10-15H2,1-3H3,(H,26,30);1H