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

Systemtic Name: ethyl 4-(2-piperidin-1-ium-1-ylethanoylamino)benzoate Openeye Name: ethyl 4-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoate Traditional Name: 4-[(2-piperidin-1-ium-1-ylacetyl)amino]benzoic acid ethyl ester Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-2-21-16(20)13-6-8-14(9-7-13)17-15(19)12-18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,19)/p+1