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

Systemtic Name: 6-ethoxy-4-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethoxy-4-[[4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethoxy-4-[[4-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethoxy-4-[[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethoxy-4-[[4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C25H28N3O4S+ MolecularWeight: 466.57252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=C(OC(=N4)C5=CC=CS5)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=C(OC(=N4)C5=CC=CS5)C

InChI

InChI=1S/C25H27N3O4S/c1-3-30-19-6-7-22-20(14-19)18(13-24(29)32-22)15-27-8-10-28(11-9-27)16-21-17(2)31-25(26-21)23-5-4-12-33-23/h4-7,12-14H,3,8-11,15-16H2,1-2H3/p+1