[6-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]methylazanium

Systemtic Name: [6-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]methylazanium Openeye Name: [6-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]methylammonium CAS Name: [6-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-2-yl]methylammonium IUPAC Name: [6-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]methylazanium Traditional Name: [6-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]methylammonium Formula: C13H20N4S+2 MolecularWeight: 264.3897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC3=C(C=C2)N=C(S3)C[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC3=C(C=C2)N=C(S3)C[NH3+]

InChI

InChI=1S/C13H18N4S/c1-16-4-6-17(7-5-16)10-2-3-11-12(8-10)18-13(9-14)15-11/h2-3,8H,4-7,9,14H2,1H3/p+2