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

Systemtic Name: 2-[4-[bis(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[bis(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[bis(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[bis(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[bis(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C21H21Cl2N4+ MolecularWeight: 400.32424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Cl2N4/c22-18-6-2-16(3-7-18)20(17-4-8-19(23)9-5-17)26-12-14-27(15-13-26)21-24-10-1-11-25-21/h1-11,20H,12-15H2/p+1