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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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