ethyl 4-[2-[(2R)-1-(3-methylbut-2-enyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2R)-1-(3-methylbut-2-enyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(2R)-1-(3-methylbut-2-enyl)-3-oxo-piperazin-1-ium-2-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(2R)-1-(3-methylbut-2-enyl)-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2R)-1-(3-methylbut-2-enyl)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(2R)-3-keto-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H33N4O4+ MolecularWeight: 381.48972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CC2C(=O)NCC[NH+]2CC=C(C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[C@@H]2C(=O)NCC[NH+]2CC=C(C)C

InChI

InChI=1S/C19H32N4O4/c1-4-27-19(26)23-10-6-15(7-11-23)21-17(24)13-16-18(25)20-8-12-22(16)9-5-14(2)3/h5,15-16H,4,6-13H2,1-3H3,(H,20,25)(H,21,24)/p+1/t16-/m1/s1