[3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]azanium dichloride

Systemtic Name: [3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]azanium dichloride Openeye Name: [3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]ammonium dichloride CAS Name: [3-ethoxy-4-[oxo-[3-(1-piperidin-1-iumyl)propoxy]methyl]phenyl]ammonium dichloride IUPAC Name: [3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]azanium dichloride Traditional Name: [3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]ammonium dichloride Formula: C17H28Cl2N2O3 MolecularWeight: 379.32182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)[NH3+])C(=O)OCCC[NH+]2CCCCC2.[Cl-].[Cl-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)[NH3+])C(=O)OCCC[NH+]2CCCCC2.[Cl-].[Cl-]

InChI

InChI=1S/C17H26N2O3.2ClH/c1-2-21-16-13-14(18)7-8-15(16)17(20)22-12-6-11-19-9-4-3-5-10-19;;/h7-8,13H,2-6,9-12,18H2,1H3;2*1H