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

Systemtic Name: 3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]propanenitrile Openeye Name: 3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]propanenitrile CAS Name: 3-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]propanenitrile IUPAC Name: 3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]propanenitrile Traditional Name: 3-[4-(2,3,4-trimethoxybenzyl)piperazine-1,4-diium-1-yl]propionitrile Formula: C17H27N3O3+2 MolecularWeight: 321.41458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CC[NH+](CC2)CCC#N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CC[NH+](CC2)CCC#N)OC)OC

InChI

InChI=1S/C17H25N3O3/c1-21-15-6-5-14(16(22-2)17(15)23-3)13-20-11-9-19(10-12-20)8-4-7-18/h5-6H,4,8-13H2,1-3H3/p+2