2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC3C4=CC=CC=C4C=CN3C(=O)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[C@H]3C4=CC=CC=C4C=CN3C(=O)C

InChI

InChI=1S/C25H30N4O2/c1-3-27-14-16-28(17-15-27)22-10-8-21(9-11-22)26-25(31)18-24-23-7-5-4-6-20(23)12-13-29(24)19(2)30/h4-13,24H,3,14-18H2,1-2H3,(H,26,31)/p+1/t24-/m0/s1