3,6-bis(azanyl)-2,3,5-trimethyl-N-methylidene-1,1-bis(oxidanylidene)-2H-1,3-benzothiazol-3-ium-4-carboxamide

Systemtic Name: 3,6-bis(azanyl)-2,3,5-trimethyl-N-methylidene-1,1-bis(oxidanylidene)-2H-1,3-benzothiazol-3-ium-4-carboxamide Openeye Name: 3,6-diamino-2,3,5-trimethyl-N-methylene-1,1-dioxo-2H-1,3-benzothiazol-3-ium-4-carboxamide CAS Name: 3,6-diamino-2,3,5-trimethyl-N-methylene-1,1-dioxo-2H-1,3-benzothiazol-3-ium-4-carboxamide IUPAC Name: 3,6-diamino-2,3,5-trimethyl-N-methylidene-1,1-dioxo-2H-1,3-benzothiazol-3-ium-4-carboxamide Traditional Name: 3,6-diamino-1,1-diketo-2,3,5-trimethyl-N-methylene-2H-1,3-benzothiazol-3-ium-4-carboxamide Formula: C12H17N4O3S+ MolecularWeight: 297.35338

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Descriptors Computed from Structure

Canonical SMILES:

CC1[N+](C2=C(S1(=O)=O)C=C(C(=C2C(=O)N=C)C)N)(C)N

Isomeric SMILES

CC1[N+](C2=C(S1(=O)=O)C=C(C(=C2C(=O)N=C)C)N)(C)N

InChI

InChI=1S/C12H17N4O3S/c1-6-8(13)5-9-11(10(6)12(17)15-3)16(4,14)7(2)20(9,18)19/h5,7H,3,13-14H2,1-2,4H3/q+1