ethyl 4-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(2,6-diisopropylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(2,6-diisopropylanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C21H33N3O3/c1-6-27-21(26)24-12-10-23(11-13-24)14-19(25)22-20-17(15(2)3)8-7-9-18(20)16(4)5/h7-9,15-16H,6,10-14H2,1-5H3,(H,22,25)/p+1