(5-chloranyl-2-prop-2-enoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: (5-chloranyl-2-prop-2-enoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (2-allyloxy-5-chloro-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (5-chloro-2-prop-2-enoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (5-chloro-2-prop-2-enoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (2-allyloxy-5-chloro-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C14H21ClNO2+ MolecularWeight: 270.77504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=C(C=CC(=C1)Cl)OCC=C

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=C(C=CC(=C1)Cl)OCC=C

InChI

InChI=1S/C14H20ClNO2/c1-3-7-18-14-6-5-12(15)8-11(14)9-16-13(4-2)10-17/h3,5-6,8,13,16-17H,1,4,7,9-10H2,2H3/p+1/t13-/m1/s1