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

Systemtic Name: [4-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium Openeye Name: (4-amino-1,3-dioxo-isoindolin-2-yl)methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: (4-amino-1,3-dioxo-2-isoindolyl)methyl-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: (4-amino-1,3-dioxoisoindol-2-yl)methyl-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: (4-amino-1,3-diketo-isoindolin-2-yl)methyl-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C18H17N4O2S+ MolecularWeight: 353.41818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O2S/c1-21(9-15-20-13-7-2-3-8-14(13)25-15)10-22-17(23)11-5-4-6-12(19)16(11)18(22)24/h2-8H,9-10,19H2,1H3/p+1