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

Systemtic Name: 3-(4-chlorophenyl)-7-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-[2-(4-methyl-1-piperazine-1,4-diiumyl)ethoxy]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]coumarin Formula: C22H25ClN2O3+2 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O3/c1-24-8-10-25(11-9-24)12-13-27-19-7-4-17-14-20(22(26)28-21(17)15-19)16-2-5-18(23)6-3-16/h2-7,14-15H,8-13H2,1H3/p+2