(2S)-3-oxidanylidene-2-phenyl-4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butanenitrile

Systemtic Name: (2S)-3-oxidanylidene-2-phenyl-4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butanenitrile Openeye Name: (2S)-4-(4-benzylpiperazin-1-ium-1-yl)-3-oxo-2-phenyl-butanenitrile CAS Name: (2S)-3-oxo-2-phenyl-4-[4-(phenylmethyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: (2S)-4-(4-benzylpiperazin-1-ium-1-yl)-3-oxo-2-phenylbutanenitrile Traditional Name: (2S)-4-(4-benzylpiperazin-1-ium-1-yl)-3-keto-2-phenyl-butyronitrile Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C(C#N)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[C@H](C#N)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O/c22-15-20(19-9-5-2-6-10-19)21(25)17-24-13-11-23(12-14-24)16-18-7-3-1-4-8-18/h1-10,20H,11-14,16-17H2/p+1/t20-/m1/s1