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

Systemtic Name: 3,6-bis(azanyl)-5-ethyl-2,2,3-trimethyl-N-methylidene-1,1-bis(oxidanylidene)-1,3-benzothiazol-3-ium-4-carboxamide Openeye Name: 3,6-diamino-5-ethyl-2,2,3-trimethyl-N-methylene-1,1-dioxo-1,3-benzothiazol-3-ium-4-carboxamide CAS Name: 3,6-diamino-5-ethyl-2,2,3-trimethyl-N-methylene-1,1-dioxo-1,3-benzothiazol-3-ium-4-carboxamide IUPAC Name: 3,6-diamino-5-ethyl-2,2,3-trimethyl-N-methylidene-1,1-dioxo-1,3-benzothiazol-3-ium-4-carboxamide Traditional Name: 3,6-diamino-5-ethyl-1,1-diketo-2,2,3-trimethyl-N-methylene-1,3-benzothiazol-3-ium-4-carboxamide Formula: C14H21N4O3S+ MolecularWeight: 325.40654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C1N)S(=O)(=O)C([N+]2(C)N)(C)C)C(=O)N=C

Isomeric SMILES

CCC1=C(C2=C(C=C1N)S(=O)(=O)C([N+]2(C)N)(C)C)C(=O)N=C

InChI

InChI=1S/C14H21N4O3S/c1-6-8-9(15)7-10-12(11(8)13(19)17-4)18(5,16)14(2,3)22(10,20)21/h7H,4,6,15-16H2,1-3,5H3/q+1