trimethyl-[1-oxidanylidene-1-(1-pyridin-3-ylcyclohexyl)oxy-butan-2-yl]azanium chloride pentahydrate

Systemtic Name: trimethyl-[1-oxidanylidene-1-(1-pyridin-3-ylcyclohexyl)oxy-butan-2-yl]azanium chloride pentahydrate Openeye Name: trimethyl-[1-[1-(3-pyridyl)cyclohexoxy]carbonylpropyl]ammonium chloride pentahydrate CAS Name: trimethyl-[1-oxo-1-[1-(3-pyridinyl)cyclohexyl]oxybutan-2-yl]ammonium chloride pentahydrate IUPAC Name: trimethyl-[1-oxo-1-(1-pyridin-3-ylcyclohexyl)oxybutan-2-yl]azanium chloride pentahydrate Traditional Name: trimethyl-[1-[1-(3-pyridyl)cyclohexoxy]carbonylpropyl]ammonium chloride pentahydrate Formula: C18H39ClN2O7 MolecularWeight: 430.96446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1(CCCCC1)C2=CN=CC=C2)[N+](C)(C)C.O.O.O.O.O.[Cl-]

Isomeric SMILES

CCC(C(=O)OC1(CCCCC1)C2=CN=CC=C2)[N+](C)(C)C.O.O.O.O.O.[Cl-]

InChI

InChI=1S/C18H29N2O2.ClH.5H2O/c1-5-16(20(2,3)4)17(21)22-18(11-7-6-8-12-18)15-10-9-13-19-14-15;;;;;;/h9-10,13-14,16H,5-8,11-12H2,1-4H3;1H;5*1H2/q+1;;;;;;/p-1