(5-bromanylthiophen-2-yl)methyl-methyl-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-methyl-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-[(7-hydroxy-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[(7-hydroxy-2-keto-chromen-4-yl)methyl]-methyl-ammonium Formula: C16H15BrNO3S+ MolecularWeight: 381.2642

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(S1)Br)CC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

C[NH+](CC1=CC=C(S1)Br)CC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C16H14BrNO3S/c1-18(9-12-3-5-15(17)22-12)8-10-6-16(20)21-14-7-11(19)2-4-13(10)14/h2-7,19H,8-9H2,1H3/p+1