[4-[[(6-bromanyl-2H-chromen-3-yl)carbonylamino]methyl]phenyl]methyl-dimethyl-(oxan-4-yl)azanium

Systemtic Name: [4-[[(6-bromanyl-2H-chromen-3-yl)carbonylamino]methyl]phenyl]methyl-dimethyl-(oxan-4-yl)azanium Openeye Name: [4-[[(6-bromo-2H-chromene-3-carbonyl)amino]methyl]phenyl]methyl-dimethyl-tetrahydropyran-4-yl-ammonium CAS Name: [4-[[[(6-bromo-2H-1-benzopyran-3-yl)-oxomethyl]amino]methyl]phenyl]methyl-dimethyl-(4-oxanyl)ammonium IUPAC Name: [4-[[(6-bromo-2H-chromene-3-carbonyl)amino]methyl]phenyl]methyl-dimethyl-(oxan-4-yl)azanium Traditional Name: [4-[[(6-bromo-2H-chromene-3-carbonyl)amino]methyl]benzyl]-dimethyl-tetrahydropyran-4-yl-ammonium Formula: C25H30BrN2O3+ MolecularWeight: 486.4213

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2)C4CCOCC4

Isomeric SMILES

C[N+](C)(CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2)C4CCOCC4

InChI

InChI=1S/C25H29BrN2O3/c1-28(2,23-9-11-30-12-10-23)16-19-5-3-18(4-6-19)15-27-25(29)21-13-20-14-22(26)7-8-24(20)31-17-21/h3-8,13-14,23H,9-12,15-17H2,1-2H3/p+1