2-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(2,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=NC=CC=N3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=NC=CC=N3)OC)OC

InChI

InChI=1S/C18H24N4O3/c1-23-15-12-17(25-3)16(24-2)11-14(15)13-21-7-9-22(10-8-21)18-19-5-4-6-20-18/h4-6,11-12H,7-10,13H2,1-3H3/p+1