dimethyl-[(1R)-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylazaniumyl]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylazaniumyl]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[(3-oxobenzo[f]chromen-1-yl)methylammonio]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[(3-oxo-1-benzo[f][1]benzopyranyl)methylammonio]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[(3-oxobenzo[f]chromen-1-yl)methylazaniumyl]-1-thiophen-2-ylethyl]azanium Traditional Name: [(1R)-2-[(3-ketobenzo[f]chromen-1-yl)methylammonio]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C22H24N2O2S+2 MolecularWeight: 380.50316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)C4=CC=CS4

Isomeric SMILES

C[NH+](C)[C@H](C[NH2+]CC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)C4=CC=CS4

InChI

InChI=1S/C22H22N2O2S/c1-24(2)18(20-8-5-11-27-20)14-23-13-16-12-21(25)26-19-10-9-15-6-3-4-7-17(15)22(16)19/h3-12,18,23H,13-14H2,1-2H3/p+2/t18-/m1/s1