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

Systemtic Name: 2-[[3-chloranyl-4-[1-(3-methylbut-2-enoyl)piperidin-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[[1-(3-methylbut-2-enoyl)-4-piperidyl]oxy]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-(3-methyl-1-oxobut-2-enyl)-4-piperidinyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-(3-methylbut-2-enoyl)piperidin-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[[1-(3-methylbut-2-enoyl)-4-piperidyl]oxy]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H31ClN3O3+ MolecularWeight: 408.94214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NCC[NH+](C)C)Cl)C

Isomeric SMILES

CC(=CC(=O)N1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NCC[NH+](C)C)Cl)C

InChI

InChI=1S/C21H30ClN3O3/c1-15(2)13-20(26)25-10-7-17(8-11-25)28-19-6-5-16(14-18(19)22)21(27)23-9-12-24(3)4/h5-6,13-14,17H,7-12H2,1-4H3,(H,23,27)/p+1