8-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]isoquinolin-7-ol

Systemtic Name: 8-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]isoquinolin-7-ol Openeye Name: 8-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]isoquinolin-7-ol CAS Name: 8-[[4-(2-pyrazinyl)-1-piperazin-1-iumyl]methyl]-7-isoquinolinol IUPAC Name: 8-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]isoquinolin-7-ol Traditional Name: 8-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]isoquinolin-7-ol Formula: C18H20N5O+ MolecularWeight: 322.3843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2C=NC=C3)O)C4=NC=CN=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2C=NC=C3)O)C4=NC=CN=C4

InChI

InChI=1S/C18H19N5O/c24-17-2-1-14-3-4-19-11-15(14)16(17)13-22-7-9-23(10-8-22)18-12-20-5-6-21-18/h1-6,11-12,24H,7-10,13H2/p+1