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

Systemtic Name: (2-bromophenyl)methyl-methyl-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: (2-bromophenyl)methyl-[(7-hydroxy-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: (2-bromophenyl)methyl-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: (2-bromophenyl)methyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: (2-bromobenzyl)-[(7-hydroxy-2-keto-chromen-4-yl)methyl]-methyl-ammonium Formula: C18H17BrNO3+ MolecularWeight: 375.23648

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1Br)CC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1Br)CC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C18H16BrNO3/c1-20(10-12-4-2-3-5-16(12)19)11-13-8-18(22)23-17-9-14(21)6-7-15(13)17/h2-9,21H,10-11H2,1H3/p+1