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

Systemtic Name: [6-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-1,3-benzothiazol-2-yl]methylazanium Openeye Name: [6-(4-isobutylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]methylammonium CAS Name: [6-[4-(2-methylpropyl)-1-piperazin-4-iumyl]-1,3-benzothiazol-2-yl]methylammonium IUPAC Name: [6-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-1,3-benzothiazol-2-yl]methylazanium Traditional Name: [6-(4-isobutylpiperazin-4-ium-1-yl)-1,3-benzothiazol-2-yl]methylammonium Formula: C16H26N4S+2 MolecularWeight: 306.46944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4S/c1-12(2)11-19-5-7-20(8-6-19)13-3-4-14-15(9-13)21-16(10-17)18-14/h3-4,9,12H,5-8,10-11,17H2,1-2H3/p+2