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

Systemtic Name: 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazin-4-ium-1-yl]pyrimidine Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3/c1-24-16-13-15(14-17(25-2)18(16)26-3)5-8-22-9-11-23(12-10-22)19-20-6-4-7-21-19/h4,6-7,13-14H,5,8-12H2,1-3H3/p+1