2-(4-phenethylpiperazin-4-ium-1-yl)pyrimidine

Systemtic Name: 2-(4-phenethylpiperazin-4-ium-1-yl)pyrimidine Openeye Name: 2-(4-phenethylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 2-(4-phenethyl-1-piperazin-4-iumyl)pyrimidine IUPAC Name: 2-(4-phenethylpiperazin-4-ium-1-yl)pyrimidine Traditional Name: 2-(4-phenethylpiperazin-4-ium-1-yl)pyrimidine Formula: C16H21N4+ MolecularWeight: 269.36474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C3=NC=CC=N3

InChI

InChI=1S/C16H20N4/c1-2-5-15(6-3-1)7-10-19-11-13-20(14-12-19)16-17-8-4-9-18-16/h1-6,8-9H,7,10-14H2/p+1