3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromone Formula: C25H27N2O3S+ MolecularWeight: 435.55848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)CC)C3=NC4=CC=CC=C4S3)C[NH+]5CCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)CC)C3=NC4=CC=CC=C4S3)C[NH+]5CCCC5)O

InChI

InChI=1S/C25H26N2O3S/c1-3-15-13-16-23(29)21(25-26-18-9-5-6-10-20(18)31-25)19(4-2)30-24(16)17(22(15)28)14-27-11-7-8-12-27/h5-6,9-10,13,28H,3-4,7-8,11-12,14H2,1-2H3/p+1