[azanyl(sulfanyl)methylidene]azanium; 2-(3-bromanylpropyl)isoindole-1,3-dione

Systemtic Name: [azanyl(sulfanyl)methylidene]azanium; 2-(3-bromanylpropyl)isoindole-1,3-dione Openeye Name: [amino(sulfanyl)methylene]ammonium; 2-(3-bromopropyl)isoindoline-1,3-dione CAS Name: [amino(mercapto)methylidene]ammonium; 2-(3-bromopropyl)isoindole-1,3-dione IUPAC Name: [amino(sulfanyl)methylidene]azanium; 2-(3-bromopropyl)isoindole-1,3-dione Traditional Name: [amino(mercapto)methylene]ammonium; 2-(3-bromopropyl)isoindoline-1,3-quinone Formula: C12H15BrN3O2S+ MolecularWeight: 345.2354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCBr.C(=[NH2+])(N)S

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCBr.C(=[NH2+])(N)S

InChI

InChI=1S/C11H10BrNO2.CH4N2S/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15;2-1(3)4/h1-2,4-5H,3,6-7H2;(H4,2,3,4)/p+1