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

Systemtic Name: butyl-[3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]azanium dichloride Openeye Name: butyl-[3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]ammonium dichloride CAS Name: butyl-[3-ethoxy-4-[oxo-[3-(1-piperidin-1-iumyl)propoxy]methyl]phenyl]ammonium dichloride IUPAC Name: butyl-[3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]azanium dichloride Traditional Name: butyl-[3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]ammonium dichloride Formula: C21H36Cl2N2O3 MolecularWeight: 435.42814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C1=CC(=C(C=C1)C(=O)OCCC[NH+]2CCCCC2)OCC.[Cl-].[Cl-]

Isomeric SMILES

CCCC[NH2+]C1=CC(=C(C=C1)C(=O)OCCC[NH+]2CCCCC2)OCC.[Cl-].[Cl-]

InChI

InChI=1S/C21H34N2O3.2ClH/c1-3-5-12-22-18-10-11-19(20(17-18)25-4-2)21(24)26-16-9-15-23-13-7-6-8-14-23;;/h10-11,17,22H,3-9,12-16H2,1-2H3;2*1H