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

Systemtic Name: 8-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]isoquinolin-7-ol Openeye Name: 8-[[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methyl]isoquinolin-7-ol CAS Name: 8-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-7-isoquinolinol IUPAC Name: 8-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]isoquinolin-7-ol Traditional Name: 8-[[4-(3-thenyl)piperazin-4-ium-1-yl]methyl]isoquinolin-7-ol Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)CC3=C(C=CC4=C3C=NC=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)CC3=C(C=CC4=C3C=NC=C4)O

InChI

InChI=1S/C19H21N3OS/c23-19-2-1-16-3-5-20-11-17(16)18(19)13-22-8-6-21(7-9-22)12-15-4-10-24-14-15/h1-5,10-11,14,23H,6-9,12-13H2/p+1