2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]-1,3-benzothiazole Formula: C22H23N4S2+ MolecularWeight: 407.57482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N4S2/c1-2-6-17(7-3-1)22-23-18(16-27-22)14-25-10-12-26(13-11-25)15-21-24-19-8-4-5-9-20(19)28-21/h1-9,16H,10-15H2/p+1