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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-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(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCC3)C4=NC5=CC=CC=C5S4

InChI

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