2-(furan-2-ylmethylsulfanyl)ethyl-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium

Systemtic Name: 2-(furan-2-ylmethylsulfanyl)ethyl-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium Openeye Name: 2-(2-furylmethylsulfanyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]ammonium CAS Name: 2-(2-furanylmethylthio)ethyl-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl]ammonium IUPAC Name: 2-(furan-2-ylmethylsulfanyl)ethyl-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium Traditional Name: 2-(2-furfurylthio)ethyl-[(3-ketobenzo[f]chromen-1-yl)methyl]ammonium Formula: C21H20NO3S+ MolecularWeight: 366.4534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)C[NH2+]CCSCC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)C[NH2+]CCSCC4=CC=CO4

InChI

InChI=1S/C21H19NO3S/c23-20-12-16(13-22-9-11-26-14-17-5-3-10-24-17)21-18-6-2-1-4-15(18)7-8-19(21)25-20/h1-8,10,12,22H,9,11,13-14H2/p+1