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

Systemtic Name: 3,6-bis(azanyl)-2,2,3-trimethyl-N-methylidene-1,1-bis(oxidanylidene)-1,3-benzothiazol-3-ium-4-carboxamide Openeye Name: 3,6-diamino-2,2,3-trimethyl-N-methylene-1,1-dioxo-1,3-benzothiazol-3-ium-4-carboxamide CAS Name: 3,6-diamino-2,2,3-trimethyl-N-methylene-1,1-dioxo-1,3-benzothiazol-3-ium-4-carboxamide IUPAC Name: 3,6-diamino-2,2,3-trimethyl-N-methylidene-1,1-dioxo-1,3-benzothiazol-3-ium-4-carboxamide Traditional Name: 3,6-diamino-1,1-diketo-2,2,3-trimethyl-N-methylene-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)N)(C)N)C

Isomeric SMILES

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

InChI

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