8-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]isoquinolin-7-ol

Systemtic Name: 8-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]isoquinolin-7-ol Openeye Name: 8-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]isoquinolin-7-ol CAS Name: 8-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]-7-isoquinolinol IUPAC Name: 8-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]isoquinolin-7-ol Traditional Name: 8-[(4-mesylpiperazin-1-ium-1-yl)methyl]isoquinolin-7-ol Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC2=C(C=CC3=C2C=NC=C3)O

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC2=C(C=CC3=C2C=NC=C3)O

InChI

InChI=1S/C15H19N3O3S/c1-22(20,21)18-8-6-17(7-9-18)11-14-13-10-16-5-4-12(13)2-3-15(14)19/h2-5,10,19H,6-9,11H2,1H3/p+1