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

Systemtic Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H22N4O2/c1-22-15-4-5-16(23-2)14(12-15)13-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11,13H2,1-2H3/p+1