(2S)-3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-2-methyl-propanenitrile

Systemtic Name: (2S)-3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-2-methyl-propanenitrile Openeye Name: (2S)-3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-2-methyl-propanenitrile CAS Name: (2S)-3-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-2-methylpropanenitrile IUPAC Name: (2S)-3-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-2-methylpropanenitrile Traditional Name: (2S)-3-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]-2-methyl-propionitrile Formula: C18H29N3O2+2 MolecularWeight: 319.44176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC(C)C#N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)C[C@H](C)C#N)OC)OC

InChI

InChI=1S/C18H27N3O2/c1-14(11-19)12-20-5-7-21(8-6-20)13-16-10-18(23-4)17(22-3)9-15(16)2/h9-10,14H,5-8,12-13H2,1-4H3/p+2/t14-/m1/s1