(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-(2-furylmethyl)-(2-thienylmethyl)ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-(2-furanylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-(2-furfuryl)-(2-thenyl)ammonium Formula: C22H22NO4S+ MolecularWeight: 396.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CC3=CC=CO3)CC4=CC=CS4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CC3=CC=CO3)CC4=CC=CS4)O

InChI

InChI=1S/C22H21NO4S/c1-2-15-9-19-16(10-22(25)27-21(19)11-20(15)24)12-23(13-17-5-3-7-26-17)14-18-6-4-8-28-18/h3-11,24H,2,12-14H2,1H3/p+1