tert-butyl 4-(1,3-dihydrobenzimidazol-2-ylidene)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(1,3-dihydrobenzimidazol-2-ylidene)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-(1,3-dihydrobenzimidazol-2-ylidene)piperazin-4-ium-1-carboxylate CAS Name: 4-(1,3-dihydrobenzimidazol-2-ylidene)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,3-dihydrobenzimidazol-2-ylidene)piperazin-4-ium-1-carboxylate Traditional Name: 4-(1,3-dihydrobenzimidazol-2-ylidene)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C16H23N4O2+ MolecularWeight: 303.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[N+](=C2NC3=CC=CC=C3N2)CC1

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[N+](=C2NC3=CC=CC=C3N2)CC1

InChI

InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-10-8-19(9-11-20)14-17-12-6-4-5-7-13(12)18-14/h4-7H,8-11H2,1-3H3,(H,17,18)/p+1