2-[[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]azaniumyl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]azaniumyl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonio]ethyl-diisopropyl-ammonium CAS Name: 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonio]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]azaniumyl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonio]ethyl-diisopropyl-ammonium Formula: C18H34N2O2+2 MolecularWeight: 310.47476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[NH2+]CC[NH+](C(C)C)C(C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](C[NH2+]CC[NH+](C(C)C)C(C)C)O

InChI

InChI=1S/C18H32N2O2/c1-14(2)20(15(3)4)10-9-19-12-17(21)13-22-18-8-6-7-16(5)11-18/h6-8,11,14-15,17,19,21H,9-10,12-13H2,1-5H3/p+2/t17-/m0/s1