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

Systemtic Name: phenyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: phenyl-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: phenyl-[4-[[2-(3-thiophenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: phenyl-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: phenyl-[4-[[2-(3-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=CSC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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