2-[(3R)-3-methyl-3-phenyl-piperazine-1,4-diium-1-yl]ethanenitrile

Systemtic Name: 2-[(3R)-3-methyl-3-phenyl-piperazine-1,4-diium-1-yl]ethanenitrile Openeye Name: 2-[(3R)-3-methyl-3-phenyl-piperazine-1,4-diium-1-yl]acetonitrile CAS Name: 2-[(3R)-3-methyl-3-phenyl-1-piperazine-1,4-diiumyl]acetonitrile IUPAC Name: 2-[(3R)-3-methyl-3-phenylpiperazine-1,4-diium-1-yl]acetonitrile Traditional Name: 2-[(3R)-3-methyl-3-phenyl-piperazine-1,4-diium-1-yl]acetonitrile Formula: C13H19N3+2 MolecularWeight: 217.31006

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[NH+](CC[NH2+]1)CC#N)C2=CC=CC=C2

Isomeric SMILES

C[C@]1(C[NH+](CC[NH2+]1)CC#N)C2=CC=CC=C2

InChI

InChI=1S/C13H17N3/c1-13(12-5-3-2-4-6-12)11-16(9-7-14)10-8-15-13/h2-6,15H,8-11H2,1H3/p+2/t13-/m0/s1