ethyl 4-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-aminocarbonylpiperidin-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-carbamoylpiperidin-1-ium-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H23N3O4/c1-2-24-17(23)13-3-5-14(6-4-13)19-15(21)11-20-9-7-12(8-10-20)16(18)22/h3-6,12H,2,7-11H2,1H3,(H2,18,22)(H,19,21)/p+1