2-(4-chlorophenyl)-4-methyl-5-(phenylmethyl)-6-piperazin-4-ium-1-yl-pyrimidine

Systemtic Name: 2-(4-chlorophenyl)-4-methyl-5-(phenylmethyl)-6-piperazin-4-ium-1-yl-pyrimidine Openeye Name: 5-benzyl-2-(4-chlorophenyl)-4-methyl-6-piperazin-4-ium-1-yl-pyrimidine CAS Name: 2-(4-chlorophenyl)-4-methyl-5-(phenylmethyl)-6-(1-piperazin-4-iumyl)pyrimidine IUPAC Name: 5-benzyl-2-(4-chlorophenyl)-4-methyl-6-piperazin-4-ium-1-ylpyrimidine Traditional Name: 5-benzyl-2-(4-chlorophenyl)-4-methyl-6-piperazin-4-ium-1-yl-pyrimidine Formula: C22H24ClN4+ MolecularWeight: 379.90576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)N3CC[NH2+]CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)N3CC[NH2+]CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23ClN4/c1-16-20(15-17-5-3-2-4-6-17)22(27-13-11-24-12-14-27)26-21(25-16)18-7-9-19(23)10-8-18/h2-10,24H,11-15H2,1H3/p+1