3-(4-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-4-methyl-chromen-2-one CAS Name: 3-(4-chlorophenyl)-8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-4-methylchromen-2-one Traditional Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-4-methyl-coumarin Formula: C23H26ClN2O3+ MolecularWeight: 413.91714

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C(=C3C)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C(=C3C)C4=CC=C(C=C4)Cl)O

InChI

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