[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-oxidanylidene-hexyl]azanium

Systemtic Name: [6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-oxidanylidene-hexyl]azanium Openeye Name: [6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-oxo-hexyl]ammonium CAS Name: [6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-oxohexyl]ammonium IUPAC Name: [6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-oxohexyl]azanium Traditional Name: [6-keto-6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]hexyl]ammonium Formula: C14H20N3O2S+ MolecularWeight: 294.3925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCC[NH3+]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCC[NH3+]

InChI

InChI=1S/C14H19N3O2S/c1-19-10-6-7-11-12(9-10)20-14(16-11)17-13(18)5-3-2-4-8-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17,18)/p+1