3-(2-dimethylaminoethyl)-1,3-benzothiazol-3-ium-2-amine

Systemtic Name: 3-(2-dimethylaminoethyl)-1,3-benzothiazol-3-ium-2-amine Openeye Name: 3-(2-dimethylaminoethyl)-1,3-benzothiazol-3-ium-2-amine CAS Name: 3-(2-dimethylaminoethyl)-1,3-benzothiazol-3-ium-2-amine IUPAC Name: 3-(2-dimethylaminoethyl)-1,3-benzothiazol-3-ium-2-amine Traditional Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)ethyl-dimethyl-amine Formula: C11H16N3S+ MolecularWeight: 222.32984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[N+]1=C(SC2=CC=CC=C21)N

Isomeric SMILES

CN(C)CC[N+]1=C(SC2=CC=CC=C21)N

InChI

InChI=1S/C11H15N3S/c1-13(2)7-8-14-9-5-3-4-6-10(9)15-11(14)12/h3-6,12H,7-8H2,1-2H3/p+1