(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-bis(thiophen-2-ylmethyl)azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-bis(thiophen-2-ylmethyl)azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-bis(2-thienylmethyl)ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-bis(thiophen-2-ylmethyl)ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-bis(thiophen-2-ylmethyl)azanium Traditional Name: (2-keto-7,8-dimethyl-chromen-4-yl)methyl-bis(2-thenyl)ammonium Formula: C22H22NO2S2+ MolecularWeight: 396.54558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+](CC3=CC=CS3)CC4=CC=CS4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+](CC3=CC=CS3)CC4=CC=CS4)C

InChI

InChI=1S/C22H21NO2S2/c1-15-7-8-20-17(11-21(24)25-22(20)16(15)2)12-23(13-18-5-3-9-26-18)14-19-6-4-10-27-19/h3-11H,12-14H2,1-2H3/p+1