methyl-[(3-methylthiophen-2-yl)methyl]-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium

Systemtic Name: methyl-[(3-methylthiophen-2-yl)methyl]-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]azanium Openeye Name: methyl-[(3-methyl-2-thienyl)methyl]-[(3-oxobenzo[f]chromen-1-yl)methyl]ammonium CAS Name: methyl-[(3-methyl-2-thiophenyl)methyl]-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl]ammonium IUPAC Name: methyl-[(3-methylthiophen-2-yl)methyl]-[(3-oxobenzo[f]chromen-1-yl)methyl]azanium Traditional Name: (3-ketobenzo[f]chromen-1-yl)methyl-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C21H20NO2S+ MolecularWeight: 350.454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](C)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(SC=C1)C[NH+](C)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H19NO2S/c1-14-9-10-25-19(14)13-22(2)12-16-11-20(23)24-18-8-7-15-5-3-4-6-17(15)21(16)18/h3-11H,12-13H2,1-2H3/p+1