3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]propyl]-methyl-ammonium CAS Name: 3-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]propyl]-methylazanium Traditional Name: benzyl-methyl-[3-(3-phthalimidopropanoylamino)propyl]ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)CCN1C(=O)C2=CC=CC=C2C1=O)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)CCN1C(=O)C2=CC=CC=C2C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-24(16-17-8-3-2-4-9-17)14-7-13-23-20(26)12-15-25-21(27)18-10-5-6-11-19(18)22(25)28/h2-6,8-11H,7,12-16H2,1H3,(H,23,26)/p+1