6-ethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-chromen-4-one

Systemtic Name: 6-ethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-(4-methylthiazol-2-yl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-(4-methyl-2-thiazolyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-(4-methylthiazol-2-yl)chromone Formula: C21H27N3O3S+2 MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)C[NH+]4CC[NH+](CC4)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)C[NH+]4CC[NH+](CC4)C)O

InChI

InChI=1S/C21H25N3O3S/c1-4-14-9-15-19(26)17(21-22-13(2)12-28-21)11-27-20(15)16(18(14)25)10-24-7-5-23(3)6-8-24/h9,11-12,25H,4-8,10H2,1-3H3/p+2