[(2S)-2-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[(2-allyl-1,3-diketo-isoindoline-5-carbonyl)amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

InChI

InChI=1S/C22H23N3O3/c1-4-12-25-21(27)17-11-10-16(13-18(17)22(25)28)20(26)23-19(14-24(2)3)15-8-6-5-7-9-15/h4-11,13,19H,1,12,14H2,2-3H3,(H,23,26)/p+1/t19-/m1/s1