8-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]isoquinolin-7-ol

Systemtic Name: 8-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]isoquinolin-7-ol Openeye Name: 8-[[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methyl]isoquinolin-7-ol CAS Name: 8-[[4-[[2-(3-thiophenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]methyl]-7-isoquinolinol IUPAC Name: 8-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]isoquinolin-7-ol Traditional Name: 8-[[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methyl]isoquinolin-7-ol Formula: C22H23N4OS2+ MolecularWeight: 423.57422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)CC4=C(C=CC5=C4C=NC=C5)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)CC4=C(C=CC5=C4C=NC=C5)O

InChI

InChI=1S/C22H22N4OS2/c27-21-2-1-16-3-5-23-11-19(16)20(21)13-26-8-6-25(7-9-26)12-18-15-29-22(24-18)17-4-10-28-14-17/h1-5,10-11,14-15,27H,6-9,12-13H2/p+1