[3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [3-chloranyl-4-(1-methylsulfonylpiperidin-4-yl)oxy-phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [3-chloro-4-[(1-methylsulfonyl-4-piperidyl)oxy]phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-chloro-4-[(1-methylsulfonyl-4-piperidinyl)oxy]phenyl]-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [3-chloro-4-[(1-mesyl-4-piperidyl)oxy]phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanone Formula: C19H29ClN3O5S+ MolecularWeight: 446.96866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)OC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CCO)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)OC2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CCO)Cl

InChI

InChI=1S/C19H28ClN3O5S/c1-29(26,27)23-6-4-16(5-7-23)28-18-3-2-15(14-17(18)20)19(25)22-10-8-21(9-11-22)12-13-24/h2-3,14,16,24H,4-13H2,1H3/p+1