tert-butyl 1-(2-methoxy-5-nitro-phenyl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(2-methoxy-5-nitro-phenyl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(2-methoxy-5-nitro-phenyl)piperazin-1-ium-1-carboxylate CAS Name: 1-(2-methoxy-5-nitrophenyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-methoxy-5-nitrophenyl)piperazin-1-ium-1-carboxylate Traditional Name: 1-(2-methoxy-5-nitro-phenyl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C16H24N3O5+ MolecularWeight: 338.37886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H24N3O5/c1-16(2,3)24-15(20)19(9-7-17-8-10-19)13-11-12(18(21)22)5-6-14(13)23-4/h5-6,11,17H,7-10H2,1-4H3/q+1