[6-(1,3-benzothiazol-2-ylamino)-6-oxidanylidene-hexyl]azanium

Systemtic Name: [6-(1,3-benzothiazol-2-ylamino)-6-oxidanylidene-hexyl]azanium Openeye Name: [6-(1,3-benzothiazol-2-ylamino)-6-oxo-hexyl]ammonium CAS Name: [6-(1,3-benzothiazol-2-ylamino)-6-oxohexyl]ammonium IUPAC Name: [6-(1,3-benzothiazol-2-ylamino)-6-oxohexyl]azanium Traditional Name: [6-(1,3-benzothiazol-2-ylamino)-6-keto-hexyl]ammonium Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCCC[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCCC[NH3+]

InChI

InChI=1S/C13H17N3OS/c14-9-5-1-2-8-12(17)16-13-15-10-6-3-4-7-11(10)18-13/h3-4,6-7H,1-2,5,8-9,14H2,(H,15,16,17)/p+1