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

Systemtic Name: 4-[[4-[(4-ethenylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethoxy-chromen-2-one Openeye Name: 6-ethoxy-4-[[4-[(4-vinylphenyl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 4-[[4-[(4-ethenylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-6-ethoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-[(4-ethenylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-ethoxychromen-2-one Traditional Name: 6-ethoxy-4-[[4-(4-vinylbenzyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C25H29N2O3+ MolecularWeight: 405.50936

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=CC=C(C=C4)C=C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-3-19-5-7-20(8-6-19)17-26-11-13-27(14-12-26)18-21-15-25(28)30-24-10-9-22(29-4-2)16-23(21)24/h3,5-10,15-16H,1,4,11-14,17-18H2,2H3/p+1