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

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-(4-veratrylpiperazin-4-ium-1-yl)pyrimidine Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2/c1-22-15-5-4-14(12-16(15)23-2)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