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

Systemtic Name: 2-[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[[2-(2-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(2-thiophen-2-yl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[[2-(2-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C18H20N3OS2+ MolecularWeight: 358.5009

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CS3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CS3)C4=CC=CC=C4O

InChI

InChI=1S/C18H19N3OS2/c22-16-5-2-1-4-15(16)21-9-7-20(8-10-21)12-14-13-24-18(19-14)17-6-3-11-23-17/h1-6,11,13,22H,7-10,12H2/p+1