3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-1,3-benzothiazole-2-thione Formula: C19H23N3S2+2 MolecularWeight: 357.53602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=S

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=S

InChI

InChI=1S/C19H21N3S2/c23-19-22(17-8-4-5-9-18(17)24-19)15-21-12-10-20(11-13-21)14-16-6-2-1-3-7-16/h1-9H,10-15H2/p+2