2-[[3-chloranyl-4-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-chloranyl-4-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-[(5-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-[(5-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-[(5-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C22H32ClN3O2S+2 MolecularWeight: 438.02638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCC(CC2)OC3=C(C=C(C=C3)C(=O)NCC[NH+](C)C)Cl

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC(CC2)OC3=C(C=C(C=C3)C(=O)NCC[NH+](C)C)Cl

InChI

InChI=1S/C22H30ClN3O2S/c1-16-4-6-19(29-16)15-26-11-8-18(9-12-26)28-21-7-5-17(14-20(21)23)22(27)24-10-13-25(2)3/h4-7,14,18H,8-13,15H2,1-3H3,(H,24,27)/p+2