1,3-benzothiazol-6-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzothiazol-6-yl-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzothiazol-6-yl-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Formula: C21H24N3O3S+ MolecularWeight: 398.49856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H23N3O3S/c1-26-17-3-5-18(6-4-17)27-13-12-23-8-10-24(11-9-23)21(25)16-2-7-19-20(14-16)28-15-22-19/h2-7,14-15H,8-13H2,1H3/p+1