4-(4-methylpiperazin-4-ium-1-yl)-2,6-diphenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-2,6-diphenyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-2,6-diphenyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-2,6-diphenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-2,6-diphenylpyrimidine-5-carbonitrile Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-2,6-diphenyl-pyrimidine-5-carbonitrile Formula: C22H22N5+ MolecularWeight: 356.44358

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=NC(=C2C#N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5/c1-26-12-14-27(15-13-26)22-19(16-23)20(17-8-4-2-5-9-17)24-21(25-22)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3/p+1