tert-butyl 4-[[(3-azanylpyridin-1-ium-4-yl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(3-azanylpyridin-1-ium-4-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(3-aminopyridin-1-ium-4-yl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[(3-amino-4-pyridin-1-iumyl)amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(3-aminopyridin-1-ium-4-yl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(3-aminopyridin-1-ium-4-yl)amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C16H27N4O2+ MolecularWeight: 307.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=C(C=[NH+]C=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=C(C=[NH+]C=C2)N

InChI

InChI=1S/C16H26N4O2/c1-16(2,3)22-15(21)20-8-5-12(6-9-20)10-19-14-4-7-18-11-13(14)17/h4,7,11-12H,5-6,8-10,17H2,1-3H3,(H,18,19)/p+1