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

Systemtic Name: 7-methyl-4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-methyl-4-[[4-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-methyl-4-[[4-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C26H28N3O3+ MolecularWeight: 430.51882

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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=CC=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3/c1-18-8-9-22-21(15-25(30)32-24(22)14-18)16-28-10-12-29(13-11-28)17-23-19(2)31-26(27-23)20-6-4-3-5-7-20/h3-9,14-15H,10-13,16-17H2,1-2H3/p+1