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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-7-oxidanyl-2-propan-2-yl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-propan-2-yl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-propan-2-yl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromone Formula: C24H25N2O3S+ MolecularWeight: 421.5319

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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+]3CCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H24N2O3S/c1-14(2)22-20(24-25-17-7-3-4-8-19(17)30-24)21(28)15-9-10-18(27)16(23(15)29-22)13-26-11-5-6-12-26/h3-4,7-10,14,27H,5-6,11-13H2,1-2H3/p+1