2-[4-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-acetylpiperazin-1-ium-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(4-acetyl-1-piperazin-1-iumyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-acetylpiperazin-1-ium-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-acetylpiperazin-1-ium-1-yl)methyl]phenyl]benzonitrile Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H21N3O/c1-16(24)23-12-10-22(11-13-23)15-17-6-8-18(9-7-17)20-5-3-2-4-19(20)14-21/h2-9H,10-13,15H2,1H3/p+1