2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole

Systemtic Name: 2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-[[2-(3-thiophenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Formula: C19H19N4OS2+ MolecularWeight: 383.51036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C19H18N4OS2/c1-2-4-17-16(3-1)21-19(24-17)23-8-6-22(7-9-23)11-15-13-26-18(20-15)14-5-10-25-12-14/h1-5,10,12-13H,6-9,11H2/p+1