methyl 4-[2-(piperidin-1-ium-4-ylmethoxy)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(piperidin-1-ium-4-ylmethoxy)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(piperidin-1-ium-4-ylmethoxy)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-piperidin-1-iumylmethoxy)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(piperidin-1-ium-4-ylmethoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(piperidin-1-ium-4-ylmethoxy)acetyl]amino]benzoic acid methyl ester Formula: C16H23N2O4+ MolecularWeight: 307.36482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COCC2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COCC2CC[NH2+]CC2

InChI

InChI=1S/C16H22N2O4/c1-21-16(20)13-2-4-14(5-3-13)18-15(19)11-22-10-12-6-8-17-9-7-12/h2-5,12,17H,6-11H2,1H3,(H,18,19)/p+1