[(2S)-3-[5-[(2,3-dihydro-1H-inden-2-ylazaniumyl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-diethyl-azanium

Systemtic Name: [(2S)-3-[5-[(2,3-dihydro-1H-inden-2-ylazaniumyl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-diethyl-azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[5-[(indan-2-ylammonio)methyl]-2-methoxy-phenoxy]propyl]ammonium CAS Name: [(2S)-3-[5-[(2,3-dihydro-1H-inden-2-ylammonio)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-diethylammonium IUPAC Name: [(2S)-3-[5-[(2,3-dihydro-1H-inden-2-ylazaniumyl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-diethylazanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[5-[(indan-2-ylammonio)methyl]-2-methoxy-phenoxy]propyl]ammonium Formula: C24H36N2O3+2 MolecularWeight: 400.55424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)C[NH2+]C2CC3=CC=CC=C3C2)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=CC(=C1)C[NH2+]C2CC3=CC=CC=C3C2)OC)O

InChI

InChI=1S/C24H34N2O3/c1-4-26(5-2)16-22(27)17-29-24-12-18(10-11-23(24)28-3)15-25-21-13-19-8-6-7-9-20(19)14-21/h6-12,21-22,25,27H,4-5,13-17H2,1-3H3/p+2/t22-/m0/s1