[2-[[[(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[[(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[(3S)-6-chlorochromane-3-carbonyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[[(3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl]-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[(3S)-6-chlorochroman-3-carbonyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C20H23ClN2O2/c1-23(2)12-15-6-4-3-5-14(15)11-22-20(24)17-9-16-10-18(21)7-8-19(16)25-13-17/h3-8,10,17H,9,11-13H2,1-2H3,(H,22,24)/p+1/t17-/m0/s1