4-[[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 4-[[4-[[2-(4-methoxyphenyl)-5-methyl-4-oxazolyl]methyl]-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 4-[[4-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C27H30N3O4+ MolecularWeight: 460.5448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=C(OC(=N4)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=C(OC(=N4)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C27H29N3O4/c1-18-4-9-23-21(15-26(31)34-25(23)14-18)16-29-10-12-30(13-11-29)17-24-19(2)33-27(28-24)20-5-7-22(32-3)8-6-20/h4-9,14-15H,10-13,16-17H2,1-3H3/p+1