2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl-methyl-(3-thienylmethyl)ammonium CAS Name: 2-(1,3-dioxo-2-isoindolyl)ethyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: methyl-(2-phthalimidoethyl)-(3-thenyl)ammonium Formula: C16H17N2O2S+ MolecularWeight: 301.38338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S/c1-17(10-12-6-9-21-11-12)7-8-18-15(19)13-4-2-3-5-14(13)16(18)20/h2-6,9,11H,7-8,10H2,1H3/p+1