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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O3/c1-2-25-9-11-26(12-10-25)13-14-28-20-8-5-18-15-21(23(27)29-22(18)16-20)17-3-6-19(24)7-4-17/h3-8,15-16H,2,9-14H2,1H3/p+2