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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-o-veratryl-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C18H25N3O2+2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H23N3O2/c1-22-16-7-5-6-15(18(16)23-2)14-20-10-12-21(13-11-20)17-8-3-4-9-19-17/h3-9H,10-14H2,1-2H3/p+2