4-[[4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]-6-ethyl-chromen-2-one

Systemtic Name: 4-[[4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]-6-ethyl-chromen-2-one Openeye Name: 4-[[4-[[2-(4-ethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]-6-ethyl-chromen-2-one CAS Name: 4-[[4-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methyl]-1-piperazin-1-iumyl]methyl]-6-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]-6-ethylchromen-2-one Traditional Name: 6-ethyl-4-[[4-[(5-methyl-2-p-phenetyl-oxazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C29H34N3O4+ MolecularWeight: 488.59796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=C(OC(=N4)C5=CC=C(C=C5)OCC)C

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=C(OC(=N4)C5=CC=C(C=C5)OCC)C

InChI

InChI=1S/C29H33N3O4/c1-4-21-6-11-27-25(16-21)23(17-28(33)36-27)18-31-12-14-32(15-13-31)19-26-20(3)35-29(30-26)22-7-9-24(10-8-22)34-5-2/h6-11,16-17H,4-5,12-15,18-19H2,1-3H3/p+1