N-tert-butyl-2-[4-(5-cyanopyridin-2-yl)-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(5-cyanopyridin-2-yl)-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(5-cyano-2-pyridyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(5-cyano-2-pyridinyl)-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(5-cyanopyridin-2-yl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(5-cyano-2-pyridyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C17H26N5O+ MolecularWeight: 316.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C2=NC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C2=NC=C(C=C2)C#N

InChI

InChI=1S/C17H25N5O/c1-17(2,3)20-16(23)13-21-7-4-8-22(10-9-21)15-6-5-14(11-18)12-19-15/h5-6,12H,4,7-10,13H2,1-3H3,(H,20,23)/p+1