2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(3,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H24N4O3/c1-23-15-11-14(12-16(24-2)17(15)25-3)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