(4-dimethylaminophenyl)methyl-[2-[[(2R)-2-oxidanylpropyl]azaniumyl]ethyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[2-[[(2R)-2-oxidanylpropyl]azaniumyl]ethyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[2-[[(2R)-2-hydroxypropyl]ammonio]ethyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[2-[[(2R)-2-hydroxypropyl]ammonio]ethyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[2-[[(2R)-2-hydroxypropyl]azaniumyl]ethyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[2-[[(2R)-2-hydroxypropyl]ammonio]ethyl]ammonium Formula: C14H27N3O+2 MolecularWeight: 253.38368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25N3O/c1-12(18)10-15-8-9-16-11-13-4-6-14(7-5-13)17(2)3/h4-7,12,15-16,18H,8-11H2,1-3H3/p+2/t12-/m1/s1