3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C24H25N2O3S+ MolecularWeight: 421.5319

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C[NH+]5CCCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4S3)C[NH+]5CCCCC5)O

InChI

InChI=1S/C24H24N2O3S/c1-2-15-12-16-22(28)18(24-25-19-8-4-5-9-20(19)30-24)14-29-23(16)17(21(15)27)13-26-10-6-3-7-11-26/h4-5,8-9,12,14,27H,2-3,6-7,10-11,13H2,1H3/p+1