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

Systemtic Name: [2-[[3-methyl-4-(3-phenylpropanoylamino)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[3-methyl-4-(3-phenylpropanoylamino)anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[3-methyl-4-[(1-oxo-3-phenylpropyl)amino]anilino]-2-oxoethyl]ammonium IUPAC Name: [2-[3-methyl-4-(3-phenylpropanoylamino)anilino]-2-oxoethyl]azanium Traditional Name: [2-[4-(hydrocinnamoylamino)-3-methyl-anilino]-2-keto-ethyl]ammonium Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2/c1-13-11-15(20-18(23)12-19)8-9-16(13)21-17(22)10-7-14-5-3-2-4-6-14/h2-6,8-9,11H,7,10,12,19H2,1H3,(H,20,23)(H,21,22)/p+1