N-[6-chloranyl-3-(4-chlorophenyl)-4-oxidanylidene-chromen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[6-chloranyl-3-(4-chlorophenyl)-4-oxidanylidene-chromen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[6-chloro-3-(4-chlorophenyl)-4-oxo-chromen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[6-chloro-3-(4-chlorophenyl)-4-oxo-1-benzopyran-2-yl]-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[6-chloro-3-(4-chlorophenyl)-4-oxochromen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[6-chloro-3-(4-chlorophenyl)-4-keto-chromen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C22H22Cl2N3O3+ MolecularWeight: 447.33438

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NC2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)NC2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21Cl2N3O3/c1-26-8-10-27(11-9-26)13-19(28)25-22-20(14-2-4-15(23)5-3-14)21(29)17-12-16(24)6-7-18(17)30-22/h2-7,12H,8-11,13H2,1H3,(H,25,28)/p+1