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

Systemtic Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-chromen-2-one CAS Name: 3-(4-chlorophenyl)-8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxychromen-2-one Traditional Name: 3-(4-chlorophenyl)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-coumarin Formula: C22H24ClN2O3+ MolecularWeight: 399.89056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O3/c1-2-24-9-11-25(12-10-24)14-19-20(26)8-5-16-13-18(22(27)28-21(16)19)15-3-6-17(23)7-4-15/h3-8,13,26H,2,9-12,14H2,1H3/p+1