ethyl 4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(isopropylamino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C12H24N3O3+ MolecularWeight: 258.33726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC(C)C

InChI

InChI=1S/C12H23N3O3/c1-4-18-12(17)15-7-5-14(6-8-15)9-11(16)13-10(2)3/h10H,4-9H2,1-3H3,(H,13,16)/p+1