N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-2-[(1S)-3-oxo-1H-isobenzofuran-1-yl]acetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2-[(1S)-3-ketophthalan-1-yl]acetamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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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(=O)O3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C[C@H]3C4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C23H27N3O3/c1-3-25-10-12-26(13-11-25)20-9-8-17(14-16(20)2)24-22(27)15-21-18-6-4-5-7-19(18)23(28)29-21/h4-9,14,21H,3,10-13,15H2,1-2H3,(H,24,27)/p+1/t21-/m0/s1