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

Systemtic Name: 6-(4-ethylphenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile Openeye Name: 6-(4-ethylphenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile CAS Name: 6-(4-ethylphenyl)-2-(1-piperazin-4-iumyl)-4-pyrimidinecarbonitrile IUPAC Name: 6-(4-ethylphenyl)-2-piperazin-4-ium-1-ylpyrimidine-4-carbonitrile Traditional Name: 6-(4-ethylphenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile Formula: C17H20N5+ MolecularWeight: 294.3742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)N3CC[NH2+]CC3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)N3CC[NH2+]CC3

InChI

InChI=1S/C17H19N5/c1-2-13-3-5-14(6-4-13)16-11-15(12-18)20-17(21-16)22-9-7-19-8-10-22/h3-6,11,19H,2,7-10H2,1H3/p+1