6-(4-chlorophenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile Openeye Name: 6-(4-chlorophenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile CAS Name: 6-(4-chlorophenyl)-2-(1-piperazin-4-iumyl)-4-pyrimidinecarbonitrile IUPAC Name: 6-(4-chlorophenyl)-2-piperazin-4-ium-1-ylpyrimidine-4-carbonitrile Traditional Name: 6-(4-chlorophenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile Formula: C15H15ClN5+ MolecularWeight: 300.7661

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC(=CC(=N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC(=CC(=N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C15H14ClN5/c16-12-3-1-11(2-4-12)14-9-13(10-17)19-15(20-14)21-7-5-18-6-8-21/h1-4,9,18H,5-8H2/p+1