3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-2-propan-2-yl-chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-2-propan-2-yl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-propan-2-yl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-propan-2-ylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromone Formula: C26H29N2O3S+ MolecularWeight: 449.58506

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(C)C)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(C)C)O

InChI

InChI=1S/C26H28N2O3S/c1-15(2)24-22(26-27-19-6-4-5-7-21(19)32-26)23(30)17-8-9-20(29)18(25(17)31-24)14-28-12-10-16(3)11-13-28/h4-9,15-16,29H,10-14H2,1-3H3/p+1