2-[[5-(3-morpholin-4-ium-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-(3-morpholin-4-ium-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(3-morpholin-4-ium-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-[3-(4-morpholin-4-iumyl)propylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(3-morpholin-4-ium-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(3-morpholin-4-ium-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C18H22N5O3S2+ MolecularWeight: 420.52898

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=NN=C(S2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1COCC[NH+]1CCCNC2=NN=C(S2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H21N5O3S2/c24-15-13-4-1-2-5-14(13)16(25)23(15)12-27-18-21-20-17(28-18)19-6-3-7-22-8-10-26-11-9-22/h1-2,4-5H,3,6-12H2,(H,19,20)/p+1