2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]ethanamide

Systemtic Name: 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]ethanamide Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]acetamide CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]acetamide IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]acetamide Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]acetamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O2/c1-4-28-13-15-29(16-14-28)24-10-9-22(17-19(24)2)27-26(32)18-25-23-8-6-5-7-21(23)11-12-30(25)20(3)31/h5-12,17,25H,4,13-16,18H2,1-3H3,(H,27,32)/p+1/t25-/m1/s1