(2R)-4-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-3-oxidanylidene-2-phenyl-butanenitrile

Systemtic Name: (2R)-4-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-3-oxidanylidene-2-phenyl-butanenitrile Openeye Name: (2R)-4-(4-benzhydrylpiperazin-1-ium-1-yl)-3-oxo-2-phenyl-butanenitrile CAS Name: (2R)-4-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-3-oxo-2-phenylbutanenitrile IUPAC Name: (2R)-4-(4-benzhydrylpiperazin-1-ium-1-yl)-3-oxo-2-phenylbutanenitrile Traditional Name: (2R)-4-(4-benzhydrylpiperazin-1-ium-1-yl)-3-keto-2-phenyl-butyronitrile Formula: C27H28N3O+ MolecularWeight: 410.53072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C(C#N)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)[C@@H](C#N)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O/c28-20-25(22-10-4-1-5-11-22)26(31)21-29-16-18-30(19-17-29)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25,27H,16-19,21H2/p+1/t25-/m0/s1