3-(4-chlorophenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-[2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]coumarin Formula: C23H26ClN2O4+ MolecularWeight: 429.91654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=C(C=C4)Cl)CCO

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=C(C=C4)Cl)CCO

InChI

InChI=1S/C23H25ClN2O4/c24-19-4-1-17(2-5-19)21-15-18-3-6-20(16-22(18)30-23(21)28)29-14-12-26-9-7-25(8-10-26)11-13-27/h1-6,15-16,27H,7-14H2/p+1