(2R)-3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-2-methyl-propanenitrile CAS Name: (2R)-3-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-2-methylpropanenitrile Traditional Name: (2R)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-2-methyl-propionitrile Formula: C21H27N3+2 MolecularWeight: 321.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

C[C@H](C[NH+]1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H25N3/c1-18(16-22)17-23-12-14-24(15-13-23)21(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21H,12-15,17H2,1H3/p+2/t18-/m0/s1