[4-[[2-methyl-5-(3-phenylpropanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[2-methyl-5-(3-phenylpropanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[2-methyl-5-(3-phenylpropanoylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[2-methyl-5-[(1-oxo-3-phenylpropyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[2-methyl-5-(3-phenylpropanoylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-[5-(hydrocinnamoylamino)-2-methyl-anilino]-4-keto-butyl]ammonium Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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