ethyl 1-[2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[4-(diethylcarbamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[4-(diethylcarbamoyl)anilino]-2-keto-ethyl]piperidin-1-ium-4-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=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OCC

InChI

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