2-[2-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]benzimidazol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]benzimidazol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[2-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzimidazol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[2-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]amino]-1-benzimidazolyl]ethyl-diethylammonium IUPAC Name: 2-[2-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)amino]benzimidazol-1-yl]ethyl-diethylazanium Traditional Name: 2-[2-[(2-allyl-1,3-diketo-isoindoline-5-carbonyl)amino]benzimidazol-1-yl]ethyl-diethyl-ammonium Formula: C25H28N5O3+ MolecularWeight: 446.52152

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C

InChI

InChI=1S/C25H27N5O3/c1-4-13-30-23(32)18-12-11-17(16-19(18)24(30)33)22(31)27-25-26-20-9-7-8-10-21(20)29(25)15-14-28(5-2)6-3/h4,7-12,16H,1,5-6,13-15H2,2-3H3,(H,26,27,31)/p+1