3-[3-(4-aminocarbonylpiperidin-1-ium-1-yl)propoxy]benzoate

Systemtic Name: 3-[3-(4-aminocarbonylpiperidin-1-ium-1-yl)propoxy]benzoate Openeye Name: 3-[3-(4-carbamoylpiperidin-1-ium-1-yl)propoxy]benzoate CAS Name: 3-[3-(4-carbamoyl-1-piperidin-1-iumyl)propoxy]benzoate IUPAC Name: 3-[3-(4-carbamoylpiperidin-1-ium-1-yl)propoxy]benzoate Traditional Name: 3-[3-(4-carbamoylpiperidin-1-ium-1-yl)propoxy]benzoate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CCCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CCCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H22N2O4/c17-15(19)12-5-8-18(9-6-12)7-2-10-22-14-4-1-3-13(11-14)16(20)21/h1,3-4,11-12H,2,5-10H2,(H2,17,19)(H,20,21)