3-[[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[4-(2-amino-2-oxo-ethoxy)phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[4-(2-amino-2-oxoethoxy)phenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[4-(2-amino-2-oxoethoxy)phenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[4-(2-amino-2-keto-ethoxy)benzyl]ammonio]propyl-dimethyl-ammonium Formula: C14H25N3O2+2 MolecularWeight: 267.3672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O2/c1-17(2)9-3-8-16-10-12-4-6-13(7-5-12)19-11-14(15)18/h4-7,16H,3,8-11H2,1-2H3,(H2,15,18)/p+2