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

Systemtic Name: 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]propyl]-methylazanium Traditional Name: benzyl-methyl-[3-[(2-phthalimidoacetyl)amino]propyl]ammonium Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)CN1C(=O)C2=CC=CC=C2C1=O)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)CN1C(=O)C2=CC=CC=C2C1=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3/c1-23(14-16-8-3-2-4-9-16)13-7-12-22-19(25)15-24-20(26)17-10-5-6-11-18(17)21(24)27/h2-6,8-11H,7,12-15H2,1H3,(H,22,25)/p+1