7-ethyl-4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]coumarin Formula: C25H32N2O4+2 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CCOC4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CCOC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H30N2O4/c1-3-19-4-9-23-20(17-25(28)31-24(23)16-19)18-27-12-10-26(11-13-27)14-15-30-22-7-5-21(29-2)6-8-22/h4-9,16-17H,3,10-15,18H2,1-2H3/p+2