4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 7-ethyl-4-[(4-veratrylpiperazine-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)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H30N2O4/c1-4-18-5-7-21-20(15-25(28)31-23(21)13-18)17-27-11-9-26(10-12-27)16-19-6-8-22(29-2)24(14-19)30-3/h5-8,13-15H,4,9-12,16-17H2,1-3H3/p+2