propyl 4-(2-piperidin-1-ium-1-ylethanoylamino)benzoate

Systemtic Name: propyl 4-(2-piperidin-1-ium-1-ylethanoylamino)benzoate Openeye Name: propyl 4-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoate Traditional Name: 4-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoic acid propyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-2-12-22-17(21)14-6-8-15(9-7-14)18-16(20)13-19-10-4-3-5-11-19/h6-9H,2-5,10-13H2,1H3,(H,18,20)/p+1