1-[(3-methoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(3-methoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(3-methoxyphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-m-anisyl-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C17H23N3O+2 MolecularWeight: 285.38402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H21N3O/c1-21-16-6-4-5-15(13-16)14-19-9-11-20(12-10-19)17-7-2-3-8-18-17/h2-8,13H,9-12,14H2,1H3/p+2