N-(4-cyanophenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(4-cyanophenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(4-cyanophenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(4-cyanophenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(4-cyanophenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(4-cyanophenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C13H17N4O+ MolecularWeight: 245.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H16N4O/c14-10-11-2-4-12(5-3-11)16-13(18)17-8-1-6-15-7-9-17/h2-5,15H,1,6-9H2,(H,16,18)/p+1