8-methyl-7-oxidanyl-4-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C25H26N3O3S+ MolecularWeight: 448.55724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CSC(=N4)C5=CC=CC=C5)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)CC4=CSC(=N4)C5=CC=CC=C5)O

InChI

InChI=1S/C25H25N3O3S/c1-17-22(29)8-7-21-19(13-23(30)31-24(17)21)14-27-9-11-28(12-10-27)15-20-16-32-25(26-20)18-5-3-2-4-6-18/h2-8,13,16,29H,9-12,14-15H2,1H3/p+1