(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetonitrile CAS Name: (2S)-2-(2-furanyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetonitrile IUPAC Name: (2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(2-furyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetonitrile Formula: C16H18N3O+ MolecularWeight: 268.33362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C#N)C2=CC=CO2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C#N)C2=CC=CO2)C3=CC=CC=C3

InChI

InChI=1S/C16H17N3O/c17-13-15(16-7-4-12-20-16)19-10-8-18(9-11-19)14-5-2-1-3-6-14/h1-7,12,15H,8-11H2/p+1/t15-/m0/s1