ethyl (3R)-1-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-[3-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-[3-(diethylcarbamoyl)anilino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC[C@H](C2)C(=O)OCC

InChI

InChI=1S/C21H31N3O4/c1-4-24(5-2)20(26)16-9-7-11-18(13-16)22-19(25)15-23-12-8-10-17(14-23)21(27)28-6-3/h7,9,11,13,17H,4-6,8,10,12,14-15H2,1-3H3,(H,22,25)/p+1/t17-/m1/s1