(2R)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(3-methoxyphenyl)ethanenitrile

Systemtic Name: (2R)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(3-methoxyphenyl)ethanenitrile Openeye Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(3-methoxyphenyl)acetonitrile CAS Name: (2R)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(3-methoxyphenyl)acetonitrile IUPAC Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(3-methoxyphenyl)acetonitrile Traditional Name: (2R)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(3-methoxyphenyl)acetonitrile Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O2/c1-12(19)17-6-8-18(9-7-17)15(11-16)13-4-3-5-14(10-13)20-2/h3-5,10,15H,6-9H2,1-2H3/p+1/t15-/m0/s1