3-(4-chlorophenyl)-7-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethoxy]-4-methyl-chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-7-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethoxy]-4-methyl-chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethoxy]-4-methyl-chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-[2-(4-ethyl-1-piperazine-1,4-diiumyl)ethoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethoxy]-4-methylchromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-[2-(4-ethylpiperazine-1,4-diium-1-yl)ethoxy]-4-methyl-coumarin Formula: C24H29ClN2O3+2 MolecularWeight: 428.95166

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCOC2=CC3=C(C=C2)C(=C(C(=O)O3)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCOC2=CC3=C(C=C2)C(=C(C(=O)O3)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C24H27ClN2O3/c1-3-26-10-12-27(13-11-26)14-15-29-20-8-9-21-17(2)23(24(28)30-22(21)16-20)18-4-6-19(25)7-5-18/h4-9,16H,3,10-15H2,1-2H3/p+2