2-[3-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]azaniumyl]methyl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]azaniumyl]methyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[3-[[[(3R)-chroman-3-yl]ammonio]methyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[3-[[[(3R)-3,4-dihydro-2H-1-benzopyran-3-yl]ammonio]methyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[3-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]azaniumyl]methyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[3-[[[(3R)-chroman-3-yl]ammonio]methyl]phenoxy]ethyl-dimethyl-ammonium Formula: C20H28N2O2+2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=CC(=C1)C[NH2+]C2CC3=CC=CC=C3OC2

Isomeric SMILES

C[NH+](C)CCOC1=CC=CC(=C1)C[NH2+][C@@H]2CC3=CC=CC=C3OC2

InChI

InChI=1S/C20H26N2O2/c1-22(2)10-11-23-19-8-5-6-16(12-19)14-21-18-13-17-7-3-4-9-20(17)24-15-18/h3-9,12,18,21H,10-11,13-15H2,1-2H3/p+2/t18-/m1/s1