5-(4-piperazin-4-ium-1-ylphenyl)pyrimidine

Systemtic Name: 5-(4-piperazin-4-ium-1-ylphenyl)pyrimidine Openeye Name: 5-(4-piperazin-4-ium-1-ylphenyl)pyrimidine CAS Name: 5-[4-(1-piperazin-4-iumyl)phenyl]pyrimidine IUPAC Name: 5-(4-piperazin-4-ium-1-ylphenyl)pyrimidine Traditional Name: 5-(4-piperazin-4-ium-1-ylphenyl)pyrimidine Formula: C14H17N4+ MolecularWeight: 241.31158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)C3=CN=CN=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)C3=CN=CN=C3

InChI

InChI=1S/C14H16N4/c1-3-14(18-7-5-15-6-8-18)4-2-12(1)13-9-16-11-17-10-13/h1-4,9-11,15H,5-8H2/p+1