[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [5-(1,3-benzothiazol-2-yl)-2-furyl]-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [5-(1,3-benzothiazol-2-yl)-2-furanyl]-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [5-(1,3-benzothiazol-2-yl)-2-furyl]-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C21H20N3O2S2+ MolecularWeight: 410.5324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H19N3O2S2/c25-21(24-10-8-23(9-11-24)13-15-7-12-27-14-15)18-6-5-17(26-18)20-22-16-3-1-2-4-19(16)28-20/h1-7,12,14H,8-11,13H2/p+1