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

Systemtic Name: 2-[[4-(1-butanoylpiperidin-4-yl)oxy-3-chloranyl-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[(1-butanoyl-4-piperidyl)oxy]-3-chloro-benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-(1-oxobutyl)-4-piperidinyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(1-butanoylpiperidin-4-yl)oxy-3-chlorobenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-[(1-butyryl-4-piperidyl)oxy]-3-chloro-benzoyl]amino]ethyl-dimethyl-ammonium Formula: C20H31ClN3O3+ MolecularWeight: 396.93144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClN3O3/c1-4-5-19(25)24-11-8-16(9-12-24)27-18-7-6-15(14-17(18)21)20(26)22-10-13-23(2)3/h6-7,14,16H,4-5,8-13H2,1-3H3,(H,22,26)/p+1