6-phenyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile

Systemtic Name: 6-phenyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile Openeye Name: 6-phenyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile CAS Name: 6-phenyl-2-(1-piperazin-4-iumyl)-4-pyrimidinecarbonitrile IUPAC Name: 6-phenyl-2-piperazin-4-ium-1-ylpyrimidine-4-carbonitrile Traditional Name: 6-phenyl-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile Formula: C15H16N5+ MolecularWeight: 266.32104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5/c16-11-13-10-14(12-4-2-1-3-5-12)19-15(18-13)20-8-6-17-7-9-20/h1-5,10,17H,6-9H2/p+1