8-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoquinolin-7-ol

Systemtic Name: 8-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoquinolin-7-ol Openeye Name: 8-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoquinolin-7-ol CAS Name: 8-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-isoquinolinol IUPAC Name: 8-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoquinolin-7-ol Traditional Name: 8-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoquinolin-7-ol Formula: C20H20BrClN3O3S+ MolecularWeight: 497.8131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrClN3O3S/c21-15-2-4-20(18(22)11-15)29(27,28)25-9-7-24(8-10-25)13-17-16-12-23-6-5-14(16)1-3-19(17)26/h1-6,11-12,26H,7-10,13H2/p+1