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

Systemtic Name: 2-[[4-[1-[(2S)-butan-2-yl]piperidin-1-ium-4-yl]oxy-3-chloranyl-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[1-[(1S)-1-methylpropyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[[1-[(2S)-butan-2-yl]-4-piperidin-1-iumyl]oxy]-3-chlorophenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[1-[(2S)-butan-2-yl]piperidin-1-ium-4-yl]oxy-3-chlorobenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[1-[(1S)-1-methylpropyl]piperidin-1-ium-4-yl]oxy-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C20H34ClN3O2+2 MolecularWeight: 383.95586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32ClN3O2/c1-5-15(2)24-11-8-17(9-12-24)26-19-7-6-16(14-18(19)21)20(25)22-10-13-23(3)4/h6-7,14-15,17H,5,8-13H2,1-4H3,(H,22,25)/p+2/t15-/m0/s1