3-[2,6-bis(chloranyl)-4-(diethylamino)phenoxy]propyl-dimethyl-prop-2-ynyl-azanium

Systemtic Name: 3-[2,6-bis(chloranyl)-4-(diethylamino)phenoxy]propyl-dimethyl-prop-2-ynyl-azanium Openeye Name: 3-[2,6-dichloro-4-(diethylamino)phenoxy]propyl-dimethyl-prop-2-ynyl-ammonium CAS Name: 3-[2,6-dichloro-4-(diethylamino)phenoxy]propyl-dimethyl-prop-2-ynylammonium IUPAC Name: 3-[2,6-dichloro-4-(diethylamino)phenoxy]propyl-dimethyl-prop-2-ynylazanium Traditional Name: 3-[2,6-dichloro-4-(diethylamino)phenoxy]propyl-dimethyl-propargyl-ammonium Formula: C18H27Cl2N2O+ MolecularWeight: 358.32578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C(=C1)Cl)OCCC[N+](C)(C)CC#C)Cl

Isomeric SMILES

CCN(CC)C1=CC(=C(C(=C1)Cl)OCCC[N+](C)(C)CC#C)Cl

InChI

InChI=1S/C18H27Cl2N2O/c1-6-10-22(4,5)11-9-12-23-18-16(19)13-15(14-17(18)20)21(7-2)8-3/h1,13-14H,7-12H2,2-5H3/q+1