1-[(2-methoxyphenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(2-methoxyphenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(2-methoxyphenyl)methyl]-4-(4-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(2-methoxyphenyl)methyl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-o-anisyl-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Formula: C18H26N3O+3 MolecularWeight: 300.41854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC=[NH+]C=C3

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC=[NH+]C=C3

InChI

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