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

Systemtic Name: phenyl-[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: phenyl-[4-[[2-(2-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: phenyl-[4-[(2-thiophen-2-yl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: phenyl-[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: phenyl-[4-[[2-(2-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C19H20N3OS2+ MolecularWeight: 370.5116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CS3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CS3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H19N3OS2/c23-19(15-5-2-1-3-6-15)22-10-8-21(9-11-22)13-16-14-25-18(20-16)17-7-4-12-24-17/h1-7,12,14H,8-11,13H2/p+1