2-[[3-chloranyl-4-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-chloranyl-4-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-(2-thenyl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H30ClN3O2S+2 MolecularWeight: 423.9998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=CS3)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CC[NH+](CC2)CC3=CC=CS3)Cl

InChI

InChI=1S/C21H28ClN3O2S/c1-24(2)12-9-23-21(26)16-5-6-20(19(22)14-16)27-17-7-10-25(11-8-17)15-18-4-3-13-28-18/h3-6,13-14,17H,7-12,15H2,1-2H3,(H,23,26)/p+2