[(1S)-2-[[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]azaniumyl]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-(4-acetylanilino)-2-oxo-ethyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-(4-acetylanilino)-2-oxoethyl]ammonio]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-(4-acetylanilino)-2-oxoethyl]azaniumyl]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-(4-acetylanilino)-2-keto-ethyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H27N3O2+2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C[NH2+]CC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C[NH2+]C[C@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C20H25N3O2/c1-15(24)16-9-11-18(12-10-16)22-20(25)14-21-13-19(23(2)3)17-7-5-4-6-8-17/h4-12,19,21H,13-14H2,1-3H3,(H,22,25)/p+2/t19-/m1/s1