(2S)-4-(4-methylpiperazin-1-ium-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile

Systemtic Name: (2S)-4-(4-methylpiperazin-1-ium-1-yl)-3-oxidanylidene-2-phenyl-butanenitrile Openeye Name: (2S)-4-(4-methylpiperazin-1-ium-1-yl)-3-oxo-2-phenyl-butanenitrile CAS Name: (2S)-4-(4-methyl-1-piperazin-1-iumyl)-3-oxo-2-phenylbutanenitrile IUPAC Name: (2S)-4-(4-methylpiperazin-1-ium-1-yl)-3-oxo-2-phenylbutanenitrile Traditional Name: (2S)-3-keto-4-(4-methylpiperazin-1-ium-1-yl)-2-phenyl-butyronitrile Formula: C15H20N3O+ MolecularWeight: 258.3388

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)C(C#N)C2=CC=CC=C2

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)[C@H](C#N)C2=CC=CC=C2

InChI

InChI=1S/C15H19N3O/c1-17-7-9-18(10-8-17)12-15(19)14(11-16)13-5-3-2-4-6-13/h2-6,14H,7-10,12H2,1H3/p+1/t14-/m1/s1