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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-7-oxidanyl-4-oxidanylidene-2-propan-2-yl-chromen-8-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-4-oxo-chromen-8-yl]methyl-diisobutyl-ammonium CAS Name: [3-(1,3-benzothiazol-2-yl)-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)-7-hydroxy-4-oxo-2-propan-2-ylchromen-8-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-isopropyl-4-keto-chromen-8-yl]methyl-diisobutyl-ammonium Formula: C28H35N2O3S+ MolecularWeight: 479.6541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(C)C)O)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(C)C)O)CC(C)C

InChI

InChI=1S/C28H34N2O3S/c1-16(2)13-30(14-17(3)4)15-20-22(31)12-11-19-25(32)24(26(18(5)6)33-27(19)20)28-29-21-9-7-8-10-23(21)34-28/h7-12,16-18,31H,13-15H2,1-6H3/p+1