[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]ammonium CAS Name: [3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]ammonium IUPAC Name: [3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]azanium Traditional Name: [3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-keto-propyl]ammonium Formula: C12H16N3O2S+ MolecularWeight: 266.33934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CC[NH3+]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CC[NH3+]

InChI

InChI=1S/C12H15N3O2S/c1-2-17-8-3-4-9-10(7-8)18-12(14-9)15-11(16)5-6-13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15,16)/p+1