1,3-benzothiazol-2-ylmethyl-methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]-methyl-ammonium Formula: C20H19N2O3S+ MolecularWeight: 367.44146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](C)CC3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](C)CC3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C20H18N2O3S/c1-12-16(23)8-7-14-13(9-19(24)25-20(12)14)10-22(2)11-18-21-15-5-3-4-6-17(15)26-18/h3-9,23H,10-11H2,1-2H3/p+1