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

Systemtic Name: 6-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-(1-piperazin-4-iumyl)-4-pyrimidinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-piperazin-4-ium-1-ylpyrimidine-4-carbonitrile Traditional Name: 6-(4-methoxyphenyl)-2-piperazin-4-ium-1-yl-pyrimidine-4-carbonitrile Formula: C16H18N5O+ MolecularWeight: 296.34702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)N3CC[NH2+]CC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC(=C2)C#N)N3CC[NH2+]CC3

InChI

InChI=1S/C16H17N5O/c1-22-14-4-2-12(3-5-14)15-10-13(11-17)19-16(20-15)21-8-6-18-7-9-21/h2-5,10,18H,6-9H2,1H3/p+1