(2S)-4-(4-ethylpiperazine-1,4-diium-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile

Systemtic Name: (2S)-4-(4-ethylpiperazine-1,4-diium-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile Openeye Name: (2S)-4-(4-ethylpiperazine-1,4-diium-1-yl)-3-oxo-2-phenyl-butanenitrile CAS Name: (2S)-4-(4-ethyl-1-piperazine-1,4-diiumyl)-3-oxo-2-phenylbutanenitrile IUPAC Name: (2S)-4-(4-ethylpiperazine-1,4-diium-1-yl)-3-oxo-2-phenylbutanenitrile Traditional Name: (2S)-4-(4-ethylpiperazine-1,4-diium-1-yl)-3-keto-2-phenyl-butyronitrile Formula: C16H23N3O+2 MolecularWeight: 273.37332

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC(=O)C(C#N)C2=CC=CC=C2

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC(=O)[C@H](C#N)C2=CC=CC=C2

InChI

InChI=1S/C16H21N3O/c1-2-18-8-10-19(11-9-18)13-16(20)15(12-17)14-6-4-3-5-7-14/h3-7,15H,2,8-11,13H2,1H3/p+2/t15-/m1/s1