8-methoxy-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-chromen-2-one

Systemtic Name: 8-methoxy-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-chromen-2-one Openeye Name: 8-methoxy-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 8-methoxy-3-[[4-[2-(4-methylphenoxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 8-methoxy-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 8-methoxy-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-carbonyl]coumarin Formula: C24H27N2O5+ MolecularWeight: 423.48158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)C3=CC4=C(C(=CC=C4)OC)OC3=O

InChI

InChI=1S/C24H26N2O5/c1-17-6-8-19(9-7-17)30-15-14-25-10-12-26(13-11-25)23(27)20-16-18-4-3-5-21(29-2)22(18)31-24(20)28/h3-9,16H,10-15H2,1-2H3/p+1