tert-butyl 1-[4-[ethanoyl-(2-methoxy-2-oxidanylidene-ethyl)amino]phenyl]piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[4-[ethanoyl-(2-methoxy-2-oxidanylidene-ethyl)amino]phenyl]piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[4-[acetyl-(2-methoxy-2-oxo-ethyl)amino]phenyl]piperazin-1-ium-1-carboxylate CAS Name: 1-[4-[acetyl-(2-methoxy-2-oxoethyl)amino]phenyl]-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-[acetyl-(2-methoxy-2-oxoethyl)amino]phenyl]piperazin-1-ium-1-carboxylate Traditional Name: 1-[4-[acetyl-(2-keto-2-methoxy-ethyl)amino]phenyl]piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C20H30N3O5+ MolecularWeight: 392.4693

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC(=O)OC)C1=CC=C(C=C1)[N+]2(CCNCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N(CC(=O)OC)C1=CC=C(C=C1)[N+]2(CCNCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H30N3O5/c1-15(24)22(14-18(25)27-5)16-6-8-17(9-7-16)23(12-10-21-11-13-23)19(26)28-20(2,3)4/h6-9,21H,10-14H2,1-5H3/q+1