1,3-benzothiazol-2-ylmethyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]-methyl-ammonium Formula: C21H21N2O3S+ MolecularWeight: 381.46804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C21H20N2O3S/c1-3-13-8-15-14(9-21(25)26-18(15)10-17(13)24)11-23(2)12-20-22-16-6-4-5-7-19(16)27-20/h4-10,24H,3,11-12H2,1-2H3/p+1