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

Systemtic Name: 2-[[3-chloranyl-4-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[[1-[(E)-4-methylpent-2-enoyl]-4-piperidyl]oxy]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-[(E)-4-methyl-1-oxopent-2-enyl]-4-piperidinyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[[1-[(E)-4-methylpent-2-enoyl]-4-piperidyl]oxy]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C22H33ClN3O3+ MolecularWeight: 422.96872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32ClN3O3/c1-16(2)5-8-21(27)26-12-9-18(10-13-26)29-20-7-6-17(15-19(20)23)22(28)24-11-14-25(3)4/h5-8,15-16,18H,9-14H2,1-4H3,(H,24,28)/p+1/b8-5+