N-butyl-4-(5-cyanopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-butyl-4-(5-cyanopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-butyl-4-(5-cyanopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide CAS Name: N-butyl-4-(5-cyano-2-pyridin-1-iumyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-butyl-4-(5-cyanopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-butyl-4-(5-cyanopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxamide Formula: C16H24N5O+ MolecularWeight: 302.39466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O/c1-2-3-7-18-16(22)21-9-4-8-20(10-11-21)15-6-5-14(12-17)13-19-15/h5-6,13H,2-4,7-11H2,1H3,(H,18,22)/p+1