4-butyl-6-methyl-2-[1-(triphenylmethyl)piperazin-1-ium-1-yl]pyrimidine

Systemtic Name: 4-butyl-6-methyl-2-[1-(triphenylmethyl)piperazin-1-ium-1-yl]pyrimidine Openeye Name: 4-butyl-6-methyl-2-(1-tritylpiperazin-1-ium-1-yl)pyrimidine CAS Name: 4-butyl-6-methyl-2-[1-(triphenylmethyl)-1-piperazin-1-iumyl]pyrimidine IUPAC Name: 4-butyl-6-methyl-2-(1-tritylpiperazin-1-ium-1-yl)pyrimidine Traditional Name: 4-butyl-6-methyl-2-(1-tritylpiperazin-1-ium-1-yl)pyrimidine Formula: C32H37N4+ MolecularWeight: 477.66298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC(=C1)C)[N+]2(CCNCC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC(=NC(=C1)C)[N+]2(CCNCC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H37N4/c1-3-4-20-30-25-26(2)34-31(35-30)36(23-21-33-22-24-36)32(27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-19,25,33H,3-4,20-24H2,1-2H3/q+1