ethyl 1-[2-[2-[4-(diethylamino)phenyl]carbonylhydrazinyl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[2-[4-(diethylamino)phenyl]carbonylhydrazinyl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[2-[4-(diethylamino)benzoyl]hydrazino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[[4-(diethylamino)phenyl]-oxomethyl]hydrazo]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[N'-[4-(diethylamino)benzoyl]hydrazino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H33N4O4+ MolecularWeight: 405.51112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O4/c1-4-25(5-2)18-9-7-16(8-10-18)20(27)23-22-19(26)15-24-13-11-17(12-14-24)21(28)29-6-3/h7-10,17H,4-6,11-15H2,1-3H3,(H,22,26)(H,23,27)/p+1