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

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

Isomeric SMILES

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

InChI

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