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

Systemtic Name: 7-oxidanyl-4-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-hydroxy-4-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7-hydroxy-4-[[4-(2-thiazolyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C17H18N3O3S+ MolecularWeight: 344.40812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=NC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)O)C4=NC=CS4

InChI

InChI=1S/C17H17N3O3S/c21-13-1-2-14-12(9-16(22)23-15(14)10-13)11-19-4-6-20(7-5-19)17-18-3-8-24-17/h1-3,8-10,21H,4-7,11H2/p+1