methyl 1-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[3-(diethylcarbamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[3-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[3-(diethylcarbamoyl)anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4/c1-4-23(5-2)19(25)16-7-6-8-17(13-16)21-18(24)14-22-11-9-15(10-12-22)20(26)27-3/h6-8,13,15H,4-5,9-12,14H2,1-3H3,(H,21,24)/p+1