propan-2-yl 4-(2-piperidin-1-ium-1-ylethanoylamino)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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