N-(2,3-dimethylphenyl)-2-[4-(4-oxidanylidenechromen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(4-oxidanylidenechromen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(4-oxochromene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[oxo-(4-oxo-1-benzopyran-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(4-oxochromene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(4-ketochromene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=O)C4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=O)C4=CC=CC=C4O3)C

InChI

InChI=1S/C24H25N3O4/c1-16-6-5-8-19(17(16)2)25-23(29)15-26-10-12-27(13-11-26)24(30)22-14-20(28)18-7-3-4-9-21(18)31-22/h3-9,14H,10-13,15H2,1-2H3,(H,25,29)/p+1