3-piperazin-4-ium-1-ylcarbonylbenzenecarbonitrile

Systemtic Name: 3-piperazin-4-ium-1-ylcarbonylbenzenecarbonitrile Openeye Name: 3-(piperazin-4-ium-1-carbonyl)benzonitrile CAS Name: 3-[oxo(1-piperazin-4-iumyl)methyl]benzonitrile IUPAC Name: 3-(piperazin-4-ium-1-carbonyl)benzonitrile Traditional Name: 3-(piperazin-4-ium-1-carbonyl)benzonitrile Formula: C12H14N3O+ MolecularWeight: 216.25906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H13N3O/c13-9-10-2-1-3-11(8-10)12(16)15-6-4-14-5-7-15/h1-3,8,14H,4-7H2/p+1