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

Systemtic Name: 4-methyl-2-[1-(triphenylmethyl)piperazin-1-ium-1-yl]pyrimidine Openeye Name: 4-methyl-2-(1-tritylpiperazin-1-ium-1-yl)pyrimidine CAS Name: 4-methyl-2-[1-(triphenylmethyl)-1-piperazin-1-iumyl]pyrimidine IUPAC Name: 4-methyl-2-(1-tritylpiperazin-1-ium-1-yl)pyrimidine Traditional Name: 4-methyl-2-(1-tritylpiperazin-1-ium-1-yl)pyrimidine Formula: C28H29N4+ MolecularWeight: 421.55666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)[N+]2(CCNCC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC=C1)[N+]2(CCNCC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N4/c1-23-17-18-30-27(31-23)32(21-19-29-20-22-32)28(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-18,29H,19-22H2,1H3/q+1