2-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(3-benzyloxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(3-phenylmethoxyphenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(3-benzoxybenzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OCC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OCC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C22H24N4O/c1-2-6-19(7-3-1)18-27-21-9-4-8-20(16-21)17-25-12-14-26(15-13-25)22-23-10-5-11-24-22/h1-11,16H,12-15,17-18H2/p+1