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

Systemtic Name: 8-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methyl]isoquinolin-7-ol Openeye Name: 8-[[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methyl]isoquinolin-7-ol CAS Name: 8-[[4-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]methyl]-7-isoquinolinol IUPAC Name: 8-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methyl]isoquinolin-7-ol Traditional Name: 8-[[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methyl]isoquinolin-7-ol Formula: C25H27N4O2S+ MolecularWeight: 447.57248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)CC4=C(C=CC5=C4C=NC=C5)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)CC4=C(C=CC5=C4C=NC=C5)O

InChI

InChI=1S/C25H26N4O2S/c1-31-21-5-2-19(3-6-21)25-27-20(17-32-25)15-28-10-12-29(13-11-28)16-23-22-14-26-9-8-18(22)4-7-24(23)30/h2-9,14,17,30H,10-13,15-16H2,1H3/p+1