4-chloranyl-2,6-bis[1-(phenylmethyl)piperazin-1-ium-1-yl]pyrimidine

Systemtic Name: 4-chloranyl-2,6-bis[1-(phenylmethyl)piperazin-1-ium-1-yl]pyrimidine Openeye Name: 2,4-bis(1-benzylpiperazin-1-ium-1-yl)-6-chloro-pyrimidine CAS Name: 4-chloro-2,6-bis[1-(phenylmethyl)-1-piperazin-1-iumyl]pyrimidine IUPAC Name: 2,4-bis(1-benzylpiperazin-1-ium-1-yl)-6-chloropyrimidine Traditional Name: 2,4-bis(1-benzylpiperazin-1-ium-1-yl)-6-chloro-pyrimidine Formula: C26H33ClN6+2 MolecularWeight: 465.03342

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=CC(=NC(=N3)[N+]4(CCNCC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=CC(=NC(=N3)[N+]4(CCNCC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C26H33ClN6/c27-24-19-25(32(15-11-28-12-16-32)20-22-7-3-1-4-8-22)31-26(30-24)33(17-13-29-14-18-33)21-23-9-5-2-6-10-23/h1-10,19,28-29H,11-18,20-21H2/q+2