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

Systemtic Name: (2R)-3-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-2-methyl-3-(4-veratrylpiperazine-1,4-diium-1-yl)propionitrile Formula: C17H27N3O2+2 MolecularWeight: 305.41518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC)C#N

Isomeric SMILES

C[C@H](C[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC)C#N

InChI

InChI=1S/C17H25N3O2/c1-14(11-18)12-19-6-8-20(9-7-19)13-15-4-5-16(21-2)17(10-15)22-3/h4-5,10,14H,6-9,12-13H2,1-3H3/p+2/t14-/m0/s1