6-(3-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-4-carbonitrile

Systemtic Name: 6-(3-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-4-carbonitrile Openeye Name: 6-(3-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-4-carbonitrile CAS Name: 6-(3-methoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-4-pyrimidinecarbonitrile IUPAC Name: 6-(3-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-4-carbonitrile Traditional Name: 6-(3-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)pyrimidine-4-carbonitrile Formula: C17H20N5O+ MolecularWeight: 310.3736

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=CC(=N2)C3=CC(=CC=C3)OC)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=CC(=N2)C3=CC(=CC=C3)OC)C#N

InChI

InChI=1S/C17H19N5O/c1-21-6-8-22(9-7-21)17-19-14(12-18)11-16(20-17)13-4-3-5-15(10-13)23-2/h3-5,10-11H,6-9H2,1-2H3/p+1