N-(4-cyanophenyl)-4-methyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-cyanophenyl)-4-methyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(4-cyanophenyl)-4-methyl-piperazin-4-ium-1-carboxamide CAS Name: N-(4-cyanophenyl)-4-methyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-cyanophenyl)-4-methylpiperazin-4-ium-1-carboxamide Traditional Name: N-(4-cyanophenyl)-4-methyl-piperazin-4-ium-1-carboxamide Formula: C13H17N4O+ MolecularWeight: 245.30028

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)13(18)15-12-4-2-11(10-14)3-5-12/h2-5H,6-9H2,1H3,(H,15,18)/p+1