8-(azepan-1-ium-1-ylmethyl)-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-chromen-4-one

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-6-ethyl-7-hydroxy-3-(4-methylthiazol-2-yl)chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-6-ethyl-7-hydroxy-3-(4-methyl-2-thiazolyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-6-ethyl-7-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-6-ethyl-7-hydroxy-3-(4-methylthiazol-2-yl)chromone Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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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+]4CCCCCC4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)C[NH+]4CCCCCC4)O

InChI

InChI=1S/C22H26N2O3S/c1-3-15-10-16-20(26)18(22-23-14(2)13-28-22)12-27-21(16)17(19(15)25)11-24-8-6-4-5-7-9-24/h10,12-13,25H,3-9,11H2,1-2H3/p+1