(2R)-2-(4-dimethylaminophenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanenitrile

Systemtic Name: (2R)-2-(4-dimethylaminophenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanenitrile Openeye Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(4-dimethylaminophenyl)acetonitrile CAS Name: (2R)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(4-dimethylaminophenyl)acetonitrile IUPAC Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(4-dimethylaminophenyl)acetonitrile Traditional Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(4-dimethylaminophenyl)acetonitrile Formula: C16H23N4O+ MolecularWeight: 287.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O/c1-13(21)19-8-10-20(11-9-19)16(12-17)14-4-6-15(7-5-14)18(2)3/h4-7,16H,8-11H2,1-3H3/p+1/t16-/m0/s1