tert-butyl 4-(5-cyanopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(5-cyanopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(5-cyanopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxylate CAS Name: 4-(5-cyano-2-pyridin-1-iumyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-cyanopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(5-cyanopyridin-1-ium-2-yl)-1,4-diazepane-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)N1CCCN(CC1)C2=[NH+]C=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=[NH+]C=C(C=C2)C#N

InChI

InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-8-4-7-19(9-10-20)14-6-5-13(11-17)12-18-14/h5-6,12H,4,7-10H2,1-3H3/p+1