[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-pyridyl)methanone CAS Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-pyridinyl)methanone IUPAC Name: [4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]-(3-pyridyl)methanone Formula: C19H24N3O4+ MolecularWeight: 358.41156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H23N3O4/c1-25-16-10-14(11-17(26-2)18(16)23)13-21-6-8-22(9-7-21)19(24)15-4-3-5-20-12-15/h3-5,10-12,23H,6-9,13H2,1-2H3/p+1