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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]-methyl-ammonium Formula: C18H15N4O4S+ MolecularWeight: 383.4011

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O4S/c1-20(9-16-19-14-4-2-3-5-15(14)27-16)10-21-17(23)12-7-6-11(22(25)26)8-13(12)18(21)24/h2-8H,9-10H2,1H3/p+1