3-[methyl(phenyl)amino]propyl-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azanium

Systemtic Name: 3-[methyl(phenyl)amino]propyl-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-[3-(N-methylanilino)propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-[3-(N-methylanilino)propyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-[3-(N-methylanilino)propyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]-[3-(N-methylanilino)propyl]ammonium Formula: C22H33N2O2+ MolecularWeight: 357.50962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(C[NH2+]CCCN(C)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@H](C[NH2+]CCCN(C)C2=CC=CC=C2)O

InChI

InChI=1S/C22H32N2O2/c1-18(2)21-12-7-8-13-22(21)26-17-20(25)16-23-14-9-15-24(3)19-10-5-4-6-11-19/h4-8,10-13,18,20,23,25H,9,14-17H2,1-3H3/p+1/t20-/m0/s1