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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]-methyl-ammonium Formula: C21H21N2O2S+ MolecularWeight: 365.46864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+](C)CC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+](C)CC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H20N2O2S/c1-13-8-9-16-15(10-20(24)25-21(16)14(13)2)11-23(3)12-19-22-17-6-4-5-7-18(17)26-19/h4-10H,11-12H2,1-3H3/p+1