4-[[4-[(1R)-1-phenylethyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(1R)-1-phenylethyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(1R)-1-phenylethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(1R)-1-phenylethyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(1R)-1-phenylethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(1R)-1-phenylethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C20H25N3+2 MolecularWeight: 307.4326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H23N3/c1-17(20-5-3-2-4-6-20)23-13-11-22(12-14-23)16-19-9-7-18(15-21)8-10-19/h2-10,17H,11-14,16H2,1H3/p+2/t17-/m1/s1