3-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]ammonio]propyl-dimethyl-ammonium Formula: C18H27ClN2O2S+2 MolecularWeight: 370.93718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CS2)OC

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CS2)OC

InChI

InChI=1S/C18H25ClN2O2S/c1-21(2)8-5-7-20-12-14-10-16(19)18(17(11-14)22-3)23-13-15-6-4-9-24-15/h4,6,9-11,20H,5,7-8,12-13H2,1-3H3/p+2