3-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-acetylpiperazin-1-ium-1-yl)methyl]benzonitrile CAS Name: 3-[(4-acetyl-1-piperazin-1-iumyl)methyl]benzonitrile IUPAC Name: 3-[(4-acetylpiperazin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 3-[(4-acetylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C14H18N3O+ MolecularWeight: 244.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H17N3O/c1-12(18)17-7-5-16(6-8-17)11-14-4-2-3-13(9-14)10-15/h2-4,9H,5-8,11H2,1H3/p+1