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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-oxidanyl-2-propan-2-yl-chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-propan-2-yl-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-propan-2-ylchromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-chromone Formula: C26H29N2O3S+ MolecularWeight: 449.58506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H28N2O3S/c1-16(2)24-22(26-27-19-9-5-6-10-21(19)32-26)23(30)17-11-12-20(29)18(25(17)31-24)15-28-13-7-3-4-8-14-28/h5-6,9-12,16,29H,3-4,7-8,13-15H2,1-2H3/p+1