3-(4-chlorophenyl)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-7-oxidanyl-chromen-4-one Openeye Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-2-methyl-chromen-4-one CAS Name: 3-(4-chlorophenyl)-8-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-7-hydroxy-2-methyl-1-benzopyran-4-one IUPAC Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-2-methylchromen-4-one Traditional Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-2-methyl-chromone Formula: C23H27ClN2O3+2 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Cl)C)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Cl)C)O

InChI

InChI=1S/C23H25ClN2O3/c1-3-25-10-12-26(13-11-25)14-19-20(27)9-8-18-22(28)21(15(2)29-23(18)19)16-4-6-17(24)7-5-16/h4-9,27H,3,10-14H2,1-2H3/p+2