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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C23H23N2O3S+ MolecularWeight: 407.50532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N2O3S/c1-14-20(23-24-17-7-3-4-8-19(17)29-23)21(27)15-9-10-18(26)16(22(15)28-14)13-25-11-5-2-6-12-25/h3-4,7-10,26H,2,5-6,11-13H2,1H3/p+1