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

Systemtic Name: dimethyl-[(1S)-2-[[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]azaniumyl]-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-[[2-(4-isopropylanilino)-2-oxo-ethyl]ammonio]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1S)-2-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]ammonio]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]azaniumyl]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[(2-cumidino-2-keto-ethyl)ammonio]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H31N3O+2 MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O/c1-16(2)17-10-12-19(13-11-17)23-21(25)15-22-14-20(24(3)4)18-8-6-5-7-9-18/h5-13,16,20,22H,14-15H2,1-4H3,(H,23,25)/p+2/t20-/m1/s1