(5-bromanylthiophen-2-yl)methyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]-methyl-ammonium Formula: C18H19BrNO3S+ MolecularWeight: 409.31736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC=C(S3)Br)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC=C(S3)Br)O

InChI

InChI=1S/C18H18BrNO3S/c1-3-11-6-14-12(7-18(22)23-16(14)8-15(11)21)9-20(2)10-13-4-5-17(19)24-13/h4-8,21H,3,9-10H2,1-2H3/p+1