propyl 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate perchlorate

Systemtic Name: propyl 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate perchlorate Openeye Name: propyl 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate perchlorate CAS Name: 3,5-dimethyl-4-[[1-oxo-2-(1-piperidin-1-iumyl)propyl]amino]benzoic acid propyl ester perchlorate IUPAC Name: propyl 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoate perchlorate Traditional Name: 3,5-dimethyl-4-(2-piperidin-1-ium-1-ylpropanoylamino)benzoic acid propyl ester perchlorate Formula: C20H31ClN2O7 MolecularWeight: 446.92234

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)C(C)[NH+]2CCCCC2)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCOC(=O)C1=CC(=C(C(=C1)C)NC(=O)C(C)[NH+]2CCCCC2)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H30N2O3.ClHO4/c1-5-11-25-20(24)17-12-14(2)18(15(3)13-17)21-19(23)16(4)22-9-7-6-8-10-22;2-1(3,4)5/h12-13,16H,5-11H2,1-4H3,(H,21,23);(H,2,3,4,5)