ethyl 4-(2-piperidin-1-ium-1-ylethylcarbamoylamino)benzoate

Systemtic Name: ethyl 4-(2-piperidin-1-ium-1-ylethylcarbamoylamino)benzoate Openeye Name: ethyl 4-(2-piperidin-1-ium-1-ylethylcarbamoylamino)benzoate CAS Name: 4-[[oxo-[2-(1-piperidin-1-iumyl)ethylamino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-piperidin-1-ium-1-ylethylcarbamoylamino)benzoate Traditional Name: 4-(2-piperidin-1-ium-1-ylethylcarbamoylamino)benzoic acid ethyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-2-23-16(21)14-6-8-15(9-7-14)19-17(22)18-10-13-20-11-4-3-5-12-20/h6-9H,2-5,10-13H2,1H3,(H2,18,19,22)/p+1