[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-pyridyl)methanone CAS Name: [4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-pyridinyl)methanone IUPAC Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-(3-pyridyl)methanone Formula: C19H24N3O3+ MolecularWeight: 342.41216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H23N3O3/c1-24-17-5-6-18(25-2)16(12-17)14-21-8-10-22(11-9-21)19(23)15-4-3-7-20-13-15/h3-7,12-13H,8-11,14H2,1-2H3/p+1