[3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-2-propan-2-yl-chromen-8-yl]methyl-bis(2-methylpropyl)azanium

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-2-propan-2-yl-chromen-8-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-4-oxo-chromen-8-yl]methyl-diisobutyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-2-propan-2-yl-1-benzopyran-8-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-2-propan-2-ylchromen-8-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-4-keto-chromen-8-yl]methyl-diisobutyl-ammonium Formula: C30H39N2O3S+ MolecularWeight: 507.70726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O3S/c1-8-20-13-21-27(34)25(30-31-23-11-9-10-12-24(23)36-30)28(19(6)7)35-29(21)22(26(20)33)16-32(14-17(2)3)15-18(4)5/h9-13,17-19,33H,8,14-16H2,1-7H3/p+1