N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1,3-benzothiazole-6-carboxamide Formula: C25H25N4OS+ MolecularWeight: 429.5572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C25H24N4OS/c30-25(20-6-11-23-24(16-20)31-18-26-23)27-21-7-9-22(10-8-21)29-14-12-28(13-15-29)17-19-4-2-1-3-5-19/h1-11,16,18H,12-15,17H2,(H,27,30)/p+1