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

Systemtic Name: butyl-[4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxy-phenyl]azanium dichloride Openeye Name: butyl-[4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxy-phenyl]ammonium dichloride CAS Name: butyl-[4-[oxo-[3-(1-piperidin-1-iumyl)propoxy]methyl]-3-propoxyphenyl]ammonium dichloride IUPAC Name: butyl-[4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxyphenyl]azanium dichloride Traditional Name: butyl-[4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxy-phenyl]ammonium dichloride Formula: C22H38Cl2N2O3 MolecularWeight: 449.45472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O3.2ClH/c1-3-5-12-23-19-10-11-20(21(18-19)26-16-4-2)22(25)27-17-9-15-24-13-7-6-8-14-24;;/h10-11,18,23H,3-9,12-17H2,1-2H3;2*1H