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

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-methyl-ammonium Formula: C17H16BrClNO2S+ MolecularWeight: 413.73644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](C)CC3=CC=C(S3)Br)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](C)CC3=CC=C(S3)Br)Cl

InChI

InChI=1S/C17H15BrClNO2S/c1-10-5-15-13(7-14(10)19)11(6-17(21)22-15)8-20(2)9-12-3-4-16(18)23-12/h3-7H,8-9H2,1-2H3/p+1