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

Systemtic Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium Openeye Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]-methyl-ammonium Formula: C22H23N2O3S+ MolecularWeight: 395.49462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-4-14-9-16-15(10-21(26)27-19(16)11-18(14)25)12-24(3)13(2)22-23-17-7-5-6-8-20(17)28-22/h5-11,13,25H,4,12H2,1-3H3/p+1/t13-/m0/s1