1-[(3-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-(4-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-m-anisyl-4-(4-pyridylmethyl)piperazine-1,4-diium Formula: C18H25N3O+2 MolecularWeight: 299.4106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C18H23N3O/c1-22-18-4-2-3-17(13-18)15-21-11-9-20(10-12-21)14-16-5-7-19-8-6-16/h2-8,13H,9-12,14-15H2,1H3/p+2