(5-bromanylthiophen-2-yl)methyl-methyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-methyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-methyl-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-methyl-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-methyl-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]-methyl-ammonium Formula: C15H13BrN3O4S+ MolecularWeight: 411.25042

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(S1)Br)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC=C(S1)Br)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12BrN3O4S/c1-17(7-10-3-5-13(16)24-10)8-18-14(20)11-4-2-9(19(22)23)6-12(11)15(18)21/h2-6H,7-8H2,1H3/p+1