7-methyl-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: 7-methyl-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: 7-methyl-4-[[4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-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: 7-methyl-4-[[4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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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=CS5)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=C(OC(=N4)C5=CC=CS5)C

InChI

InChI=1S/C24H25N3O3S/c1-16-5-6-19-18(13-23(28)30-21(19)12-16)14-26-7-9-27(10-8-26)15-20-17(2)29-24(25-20)22-4-3-11-31-22/h3-6,11-13H,7-10,14-15H2,1-2H3/p+1