7-(diethylamino)-4-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)chromen-2-one

Systemtic Name: 7-(diethylamino)-4-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)chromen-2-one Openeye Name: 7-(diethylamino)-4-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)chromen-2-one CAS Name: 7-(diethylamino)-4-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-benzopyran-2-one IUPAC Name: 7-(diethylamino)-4-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)chromen-2-one Traditional Name: 7-(diethylamino)-4-methyl-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)coumarin Formula: C22H23N2O2S+ MolecularWeight: 379.49522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=[N+](C4=CC=CC=C4S3)C)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=[N+](C4=CC=CC=C4S3)C)C

InChI

InChI=1S/C22H23N2O2S/c1-5-24(6-2)15-11-12-16-14(3)20(22(25)26-18(16)13-15)21-23(4)17-9-7-8-10-19(17)27-21/h7-13H,5-6H2,1-4H3/q+1