2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]pyrimidine-5-carbonitrile Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)pyrimidine-5-carbonitrile CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5-pyrimidinecarbonitrile IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)pyrimidine-5-carbonitrile Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)pyrimidine-5-carbonitrile Formula: C22H22N5+ MolecularWeight: 356.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=C(C=N4)C#N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC=C(C=N4)C#N

InChI

InChI=1S/C22H21N5/c23-15-18-16-24-22(25-17-18)27-13-11-26(12-14-27)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,16-17,21H,11-14H2/p+1