tert-butyl 4-[(1-prop-2-ynylpyridin-1-ium-2-yl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(1-prop-2-ynylpyridin-1-ium-2-yl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(1-prop-2-ynylpyridin-1-ium-2-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(1-prop-2-ynyl-2-pyridin-1-iumyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1-prop-2-ynylpyridin-1-ium-2-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(1-propargylpyridin-1-ium-2-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=CC=[N+]2CC#C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=CC=[N+]2CC#C

InChI

InChI=1S/C18H26N3O2/c1-5-9-20-10-7-6-8-16(20)15-19-11-13-21(14-12-19)17(22)23-18(2,3)4/h1,6-8,10H,9,11-15H2,2-4H3/q+1