2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 2-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)pyrimidine Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)pyrimidine Formula: C15H19N4+ MolecularWeight: 255.33816

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=CC=N3

InChI

InChI=1S/C15H18N4/c1-2-5-14(6-3-1)13-18-9-11-19(12-10-18)15-16-7-4-8-17-15/h1-8H,9-13H2/p+1