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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)-2-propan-2-yl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(1-piperidin-1-iumylmethyl)-2-propan-2-yl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-2-propan-2-ylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-8-(piperidin-1-ium-1-ylmethyl)chromone Formula: C25H27N2O3S+ MolecularWeight: 435.55848

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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+]3CCCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N2O3S/c1-15(2)23-21(25-26-18-8-4-5-9-20(18)31-25)22(29)16-10-11-19(28)17(24(16)30-23)14-27-12-6-3-7-13-27/h4-5,8-11,15,28H,3,6-7,12-14H2,1-2H3/p+1