tert-butyl 1-[4-(1-cyanoethyl)phenyl]piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[4-(1-cyanoethyl)phenyl]piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[4-(1-cyanoethyl)phenyl]piperazin-1-ium-1-carboxylate CAS Name: 1-[4-(1-cyanoethyl)phenyl]-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-(1-cyanoethyl)phenyl]piperazin-1-ium-1-carboxylate Traditional Name: 1-[4-(1-cyanoethyl)phenyl]piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C18H26N3O2+ MolecularWeight: 316.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N3O2/c1-14(13-19)15-5-7-16(8-6-15)21(11-9-20-10-12-21)17(22)23-18(2,3)4/h5-8,14,20H,9-12H2,1-4H3/q+1