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

Systemtic Name: 2-[[3-chloranyl-4-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[[1-[(2S)-2-methylbutanoyl]-4-piperidyl]oxy]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-[(2S)-2-methyl-1-oxobutyl]-4-piperidinyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[[1-[(2S)-2-methylbutanoyl]-4-piperidyl]oxy]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H33ClN3O3+ MolecularWeight: 410.95802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32ClN3O3/c1-5-15(2)21(27)25-11-8-17(9-12-25)28-19-7-6-16(14-18(19)22)20(26)23-10-13-24(3)4/h6-7,14-15,17H,5,8-13H2,1-4H3,(H,23,26)/p+1/t15-/m0/s1