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

Systemtic Name: [4-[[[(3R)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]carbonylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[(3R)-6-chlorochromane-3-carbonyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[[(3R)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl]-oxomethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[[(3R)-6-chlorochroman-3-carbonyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)[C@@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C22H27ClN2O2/c1-3-25(4-2)14-17-7-5-16(6-8-17)13-24-22(26)19-11-18-12-20(23)9-10-21(18)27-15-19/h5-10,12,19H,3-4,11,13-15H2,1-2H3,(H,24,26)/p+1/t19-/m1/s1