N-(4-methylphenyl)-2-[4-[(7-oxidanylisoquinolin-8-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-[(7-oxidanylisoquinolin-8-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(7-hydroxy-8-isoquinolyl)methyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(7-hydroxy-8-isoquinolinyl)methyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[(7-hydroxyisoquinolin-8-yl)methyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[(7-hydroxy-8-isoquinolyl)methyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=C(C=CC4=C3C=NC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=C(C=CC4=C3C=NC=C4)O

InChI

InChI=1S/C23H26N4O2/c1-17-2-5-19(6-3-17)25-23(29)16-27-12-10-26(11-13-27)15-21-20-14-24-9-8-18(20)4-7-22(21)28/h2-9,14,28H,10-13,15-16H2,1H3,(H,25,29)/p+1