[1-[2-(4-azaniumyl-5-chloranyl-2-methoxy-phenyl)carbonyloxyethyl]piperidin-4-yl]azanium dichloride

Systemtic Name: [1-[2-(4-azaniumyl-5-chloranyl-2-methoxy-phenyl)carbonyloxyethyl]piperidin-4-yl]azanium dichloride Openeye Name: [1-[2-(4-azaniumyl-5-chloro-2-methoxy-benzoyl)oxyethyl]-4-piperidyl]ammonium dichloride CAS Name: [1-[2-[(4-ammonio-5-chloro-2-methoxyphenyl)-oxomethoxy]ethyl]-4-piperidinyl]ammonium dichloride IUPAC Name: [1-[2-(4-azaniumyl-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]azanium dichloride Traditional Name: [1-[2-(4-ammonio-5-chloro-2-methoxy-benzoyl)oxyethyl]-4-piperidyl]ammonium dichloride Formula: C15H24Cl3N3O3 MolecularWeight: 400.72836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)[NH3+])Cl)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)[NH3+])Cl)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C15H22ClN3O3.2ClH/c1-21-14-9-13(18)12(16)8-11(14)15(20)22-7-6-19-4-2-10(17)3-5-19;;/h8-10H,2-7,17-18H2,1H3;2*1H