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

Systemtic Name: 2-[[3-chloranyl-4-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-(3-methylbut-2-enyl)-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-(3-methylbut-2-enyl)piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H34ClN3O2+2 MolecularWeight: 395.96656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NCC[NH+](C)C)Cl)C

Isomeric SMILES

CC(=CC[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NCC[NH+](C)C)Cl)C

InChI

InChI=1S/C21H32ClN3O2/c1-16(2)7-11-25-12-8-18(9-13-25)27-20-6-5-17(15-19(20)22)21(26)23-10-14-24(3)4/h5-7,15,18H,8-14H2,1-4H3,(H,23,26)/p+2