tert-butyl 4-(phenylmethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(phenylmethyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-benzylpiperazin-4-ium-1-carboxylate CAS Name: 4-(phenylmethyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzylpiperazin-4-ium-1-carboxylate Traditional Name: 4-benzylpiperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3/p+1