1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(2-phenylthiazol-4-yl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-(2-phenyl-4-thiazolyl)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(2-phenylthiazol-4-yl)ethanone Formula: C23H23N4OS2+ MolecularWeight: 435.58492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H22N4OS2/c28-22(14-18-16-29-23(24-18)17-6-2-1-3-7-17)27-12-10-26(11-13-27)15-21-25-19-8-4-5-9-20(19)30-21/h1-9,16H,10-15H2/p+1