[3-(1,3-benzothiazol-2-yl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-azanium

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-diethylammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethylazanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromen-8-yl]methyl-diethyl-ammonium Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1C2C(=C(C(=CO2)C3=NC4=CC=CC=C4S3)O)CCC1=O

Isomeric SMILES

CC[NH+](CC)CC1C2C(=C(C(=CO2)C3=NC4=CC=CC=C4S3)O)CCC1=O

InChI

InChI=1S/C21H24N2O3S/c1-3-23(4-2)11-14-17(24)10-9-13-19(25)15(12-26-20(13)14)21-22-16-7-5-6-8-18(16)27-21/h5-8,12,14,20,25H,3-4,9-11H2,1-2H3/p+1