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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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