[4-[[3-methyl-4-(3-phenylpropanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[3-methyl-4-(3-phenylpropanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[3-methyl-4-(3-phenylpropanoylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[3-methyl-4-[(1-oxo-3-phenylpropyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[3-methyl-4-(3-phenylpropanoylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-[4-(hydrocinnamoylamino)-3-methyl-anilino]-4-keto-butyl]ammonium Formula: C20H26N3O2+ MolecularWeight: 340.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCC[NH3+])NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCC[NH3+])NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O2/c1-15-14-17(22-19(24)8-5-13-21)10-11-18(15)23-20(25)12-9-16-6-3-2-4-7-16/h2-4,6-7,10-11,14H,5,8-9,12-13,21H2,1H3,(H,22,24)(H,23,25)/p+1