1-[4-[4-[(7-oxidanylisoquinolin-8-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(7-oxidanylisoquinolin-8-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(7-hydroxy-8-isoquinolyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(7-hydroxy-8-isoquinolinyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(7-hydroxyisoquinolin-8-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(7-hydroxy-8-isoquinolyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC4=C3C=NC=C4)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC4=C3C=NC=C4)O

InChI

InChI=1S/C22H23N3O2/c1-16(26)17-2-5-19(6-3-17)25-12-10-24(11-13-25)15-21-20-14-23-9-8-18(20)4-7-22(21)27/h2-9,14,27H,10-13,15H2,1H3/p+1