2-azanyl-N,N-diethyl-1,3-benzothiazol-3-ium-6-carboxamide

Systemtic Name: 2-azanyl-N,N-diethyl-1,3-benzothiazol-3-ium-6-carboxamide Openeye Name: 2-amino-N,N-diethyl-1,3-benzothiazol-3-ium-6-carboxamide CAS Name: 2-amino-N,N-diethyl-1,3-benzothiazol-3-ium-6-carboxamide IUPAC Name: 2-amino-N,N-diethyl-1,3-benzothiazol-3-ium-6-carboxamide Traditional Name: 2-amino-N,N-diethyl-1,3-benzothiazol-3-ium-6-carboxamide Formula: C12H16N3OS+ MolecularWeight: 250.33994

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)[NH+]=C(S2)N

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)[NH+]=C(S2)N

InChI

InChI=1S/C12H15N3OS/c1-3-15(4-2)11(16)8-5-6-9-10(7-8)17-12(13)14-9/h5-7H,3-4H2,1-2H3,(H2,13,14)/p+1