4-[[4-[(2,5-dimethylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethoxy-chromen-2-one

Systemtic Name: 4-[[4-[(2,5-dimethylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethoxy-chromen-2-one Openeye Name: 4-[[4-[(2,5-dimethylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethoxy-chromen-2-one CAS Name: 4-[[4-[(2,5-dimethylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-6-ethoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-[(2,5-dimethylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethoxychromen-2-one Traditional Name: 4-[[4-(2,5-dimethylbenzyl)piperazin-1-ium-1-yl]methyl]-6-ethoxy-coumarin Formula: C25H31N2O3+ MolecularWeight: 407.52524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C25H30N2O3/c1-4-29-22-7-8-24-23(15-22)21(14-25(28)30-24)17-27-11-9-26(10-12-27)16-20-13-18(2)5-6-19(20)3/h5-8,13-15H,4,9-12,16-17H2,1-3H3/p+1