(4-chlorophenyl)methyl-bis[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: (4-chlorophenyl)methyl-bis[(2S)-2-oxidanylpropyl]azanium Openeye Name: (4-chlorophenyl)methyl-bis[(2S)-2-hydroxypropyl]ammonium CAS Name: (4-chlorophenyl)methyl-bis[(2S)-2-hydroxypropyl]ammonium IUPAC Name: (4-chlorophenyl)methyl-bis[(2S)-2-hydroxypropyl]azanium Traditional Name: (4-chlorobenzyl)-bis[(2S)-2-hydroxypropyl]ammonium Formula: C13H21ClNO2+ MolecularWeight: 258.76434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClNO2/c1-10(16)7-15(8-11(2)17)9-12-3-5-13(14)6-4-12/h3-6,10-11,16-17H,7-9H2,1-2H3/p+1/t10-,11-/m0/s1