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

Systemtic Name: 3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]propanenitrile Openeye Name: 3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]propanenitrile CAS Name: 3-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]propanenitrile IUPAC Name: 3-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propanenitrile Traditional Name: 3-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]propionitrile Formula: C17H27N3O2+2 MolecularWeight: 305.41518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2/c1-14-11-16(21-2)17(22-3)12-15(14)13-20-9-7-19(8-10-20)6-4-5-18/h11-12H,4,6-10,13H2,1-3H3/p+2