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

Systemtic Name: 6-ethoxy-4-[[4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethoxy-4-[[4-[[5-methyl-2-(o-tolyl)oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethoxy-4-[[4-[[5-methyl-2-(2-methylphenyl)-4-oxazolyl]methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethoxy-4-[[4-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethoxy-4-[[4-[[5-methyl-2-(o-tolyl)oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C28H32N3O4+ MolecularWeight: 474.57138

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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=CC=C5C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)CC4=C(OC(=N4)C5=CC=CC=C5C)C

InChI

InChI=1S/C28H31N3O4/c1-4-33-22-9-10-26-24(16-22)21(15-27(32)35-26)17-30-11-13-31(14-12-30)18-25-20(3)34-28(29-25)23-8-6-5-7-19(23)2/h5-10,15-16H,4,11-14,17-18H2,1-3H3/p+1