N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C24H28ClN4O2+ MolecularWeight: 439.95772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=C(C=CC(=C3)Cl)N4CC[NH+](CC4)C

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)NC3=C(C=CC(=C3)Cl)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H27ClN4O2/c1-17(30)29-10-9-18-5-3-4-6-20(18)23(29)16-24(31)26-21-15-19(25)7-8-22(21)28-13-11-27(2)12-14-28/h3-10,15,23H,11-14,16H2,1-2H3,(H,26,31)/p+1/t23-/m1/s1